Department of LIS
University of North Bengal
0353 2776328
sghosh@nbu.ac.in
Raja Rammohunpur
Siliguri 734013, WB
University of North Bengal
sghosh@nbu.ac.in
Siliguri 734013, WB
| Row | Additional ID | Smiles | Compound ID | Activity |
|---|---|---|---|---|
| Row4730 | TCMDC-133559 | c1cc2c(cc1F)[nH]c(n2)c3cc(cnc3N)c4c[nH]nc4 | CHEMBL588540 | active |
| Row5285 | TCMDC-134114 | c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3cccc(c3)N4CCN(CC4)CCO)Cl.Cl | CHEMBL581801 | active |
| Row5335 | TCMDC-134164 | CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4cccnc4C(=O)N)Cl.Cl | CHEMBL548755 | active |
| Row6835 | TCMDC-135665 | c1cc(cc(c1)O)c2c(cc(o2)C(=O)NCC(c3ccc(cc3)C(F)(F)F)N4CCCC4)c5ccncc5.C(=O)(C(F)(F)F)O | CHEMBL580091 | active |
| Row6838 | TCMDC-135668 | COc1cc(cc(c1OC)OC)Nc2nccc(n2)c3c4ccccn4nc3c5cccc(c5)NC(=O)c6c(cccc6F)F | CHEMBL587200 | active |
| Row7085 | TCMDC-135915 | c1ccn2c(c1)c(c(n2)c3cccc(c3)NC(=O)c4c(cccc4F)F)c5ccnc(n5)Nc6ccc(cc6)c7cc[nH]n7 | CHEMBL547751 | active |
| Row7371 | TCMDC-136205 | CCn1c2c(cnc(c2nc1c3c(non3)N)c4cccc(c4)NC(=O)Nc5cccc(c5)C(=O)OCC)OCCCN.C(=O)(C(F)(F)F)O | CHEMBL546715 | active |
| Row7382 | TCMDC-136216 | c1ccc(cc1)CCn2c3c(cnc(c3nc2c4c(non4)N)c5ccccc5)OCCCN.Cl | CHEMBL546961 | active |
| Row8322 | TCMDC-137156 | Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N5CCOCC5 | CHEMBL106772 | active |
| Row9497 | TCMDC-138334 | Cc1nc(no1)c2cccc(c2)Nc3ccnc4c3ccc(c4)c5nccs5.Cl | CHEMBL547280 | active |
| Row9560 | TCMDC-138397 | c1cc2c(ccnc2cc1c3ccc(o3)CNCCN4CCOCC4)Nc5ccc(cc5F)Cl | CHEMBL580789 | active |
| Row9561 | TCMDC-138398 | c1ccc(cc1)Oc2ccc(cc2)Nc3ccnc4c3ccc(c4)c5ccc(o5)CNCCN6CCOCC6 | CHEMBL531430 | active |
| Row9573 | TCMDC-138410 | CN(C)CCNCc1nc(cs1)c2ccc3c(ccnc3c2)Nc4ccc(cc4)Oc5ccccc5 | CHEMBL532841 | active |
| Row9850 | TCMDC-138688 | CN1CCN(CC1)c2ccc(cc2Cl)Nc3nccc(n3)c4cnn5c4cccn5 | CHEMBL588259 | active |
| Row11661 | TCMDC-140549 | CC(C)(C)CNCC(C)(C)c1[nH]c(c(n1)c2ccc(c(c2)O)Cl)c3ccncc3.Cl | CHEMBL531094 | active |
| Row11798 | TCMDC-140686 | CC(C)(c1[nH]c(c(n1)c2ccc(c(c2)O)Cl)c3ccncc3)NCc4[nH]ccn4.Cl | CHEMBL532976 | active |
| Row12191 | TCMDC-141079 | CC(C)(CNC(=O)[C@@H]1CCCCN1)c2[nH]c(c(n2)c3ccc(c(c3)O)Cl)c4ccncc4.Cl | CHEMBL582407 | active |
| Row13002 | TCMDC-141893 | CC(C)(C)c1cc(no1)Nc2nc3cc(ccc3n2C)Nc4ccnc(n4)Nc5cccc(c5)CS(=O)(=O)C | CHEMBL588093 | active |
| Row81 | TCMDC-123540 | CCn1c(nnc1SCC)C2CCCN(C2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F | CHEMBL531539 | inactive |
| Row276 | TCMDC-123735 | CCC(C)OC(=O)C1=C(NC2=C(C1c3ccc(o3)C)C(=O)CC(C2)c4ccc(c(c4)OC)OC)C | CHEMBL548573 | inactive |
| Row474 | TCMDC-123937 | Cc1ccc2c(n1)n(c(=O)n(c2=O)C)C | CHEMBL586165 | inactive |
| Row655 | TCMDC-124118 | CN1c2cc(ccc2SC1=C3C(=O)N(C(=Nc4ccc5c(c4)cccn5)S3)Cc6ccccc6)Cl | CHEMBL528519 | inactive |
| Row747 | TCMDC-124210 | CCCCOC(=O)C1=C(NC2=C(C1c3ccc(c(c3)Br)OC)C(=O)CCC2)C | CHEMBL532901 | inactive |
| Row1046 | TCMDC-124511 | c1ccc(cc1)NC(=O)c2cc(cn(c2=O)c3ccccc3)C(=O)c4cc(ccc4O)Cl | CHEMBL547283 | inactive |
| Row1157 | TCMDC-124622 | Cc1ccn2cc(nc2c1)c3cccc(c3)NC(=O)c4cc(cc(c4)OC)OC | CHEMBL529509 | inactive |
| Row1205 | TCMDC-124670 | c1ccc(c(c1)CNC(=O)c2ccc(cc2)N3CCC(CC3)NCc4cccc(c4)n5cccn5)F | CHEMBL528363 | inactive |
| Row1241 | TCMDC-124706 | Cc1cc(nc(n1)Nc2ccc(cc2)NC(=O)c3ccccc3OC)N4CCOCC4 | CHEMBL533890 | inactive |
| Row1263 | TCMDC-124728 | Cc1cc(nc(n1)Nc2ccc(cc2)NC(=O)c3ccccc3OC)N(C)C | CHEMBL530533 | inactive |
| Row1329 | TCMDC-124794 | Cc1nc2ccc(cc2n1C3CCN(CC3)C(=O)Cc4ccc(c(c4)F)F)F | CHEMBL547801 | inactive |
| Row1349 | TCMDC-124814 | COc1ccc(cc1OC)Nc2ccnc3c2ccc(c3)Cl | CHEMBL587797 | inactive |
| Row1429 | TCMDC-124894 | c1ccc(cc1)n2c(=S)sc(n2)SCC(=O)c3c[nH]c4c3cccc4 | CHEMBL581329 | inactive |
| Row1779 | TCMDC-125244 | CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc(c(c4)Cl)C#N | CHEMBL545933 | inactive |
| Row1880 | TCMDC-125345 | COc1cc(cc(c1)OC)C(=O)Nc2nc(cs2)c3ccccn3 | CHEMBL531508 | inactive |
| Row2055 | TCMDC-125522 | c1ccnc(c1)C=NNC(=S)Nc2ccc(c(c2)Cl)Cl | CHEMBL529046 | inactive |
| Row2878 | TCMDC-131704 | CC1(NC(=NC(=N)N1OCCSc2ccc(c(c2)Cl)Cl)N)C.Br | CHEMBL548931 | inactive |
| Row3088 | TCMDC-131914 | CCOc1cc2c(cc1OCC)ncnc2Nc3ccc(c(c3)Cl)OCc4ccccc4F.Cl | CHEMBL535563 | inactive |
| Row3196 | TCMDC-132022 | CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]1c2ccccc2)N(Cc3cc(ccc3O)n4c(nnn4)C(F)(F)F)C(=O)OC(C)(C)C | CHEMBL537779 | inactive |
| Row3579 | TCMDC-132406 | c1ccc2c(c1)c(=O)cc([nH]2)C(=O)Nc3cccc(c3)c4cc(sc4)c5[nH]c6ccccc6n5 | CHEMBL534363 | inactive |
| Row3664 | TCMDC-132491 | Cn1cc(nc1)CCNC(=O)c2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F | CHEMBL587549 | inactive |
| Row3866 | TCMDC-132693 | c1cc(ccc1CN2CCC(CC2)C(=O)N)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O | CHEMBL533192 | inactive |
| Row3941 | TCMDC-132768 | CCCCCN1CCCC(C1)NS(=O)(=O)c2cccc(c2)C(=O)Nc3cccc(c3)C(F)(F)F.C(=O)(C(F)(F)F)O | CHEMBL547752 | inactive |
| Row4096 | TCMDC-132923 | c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O | CHEMBL530941 | inactive |
| Row4261 | TCMDC-133088 | CS(=O)(=O)NCCCNCc1cccc(c1)c2ccc(s2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O | CHEMBL546376 | inactive |
| Row4354 | TCMDC-133181 | c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)NC(=O)Nc5ccc(cc5)Cl | CHEMBL530312 | inactive |
| Row4389 | TCMDC-133216 | c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4cccc(c4)NC(=O)Nc5ccsc5 | CHEMBL580058 | inactive |
| Row4429 | TCMDC-133257 | c1ccc(cc1)C2CC2NC(=O)Nc3ccc(cc3)c4cccc(c4)c5[nH]c6ccccc6n5 | CHEMBL580606 | inactive |
| Row4481 | TCMDC-133310 | Cc1c(n(c2c1c(ncn2)OC3CCN(CC3)CC(=O)NC4CC4)C5CCCC5)C | CHEMBL531792 | inactive |
| Row4697 | TCMDC-133526 | Cc1ccccc1C2CCN(CC2)C3CCC(CC3)NC(=O)/C=C/c4ccc(c(c4)C)C | CHEMBL547948 | inactive |
| Row4924 | TCMDC-133753 | c1cc(sc1)C(=O)Nc2ccc(cc2)OC3CCN(C3)Cc4ccc(cc4)F.C(=O)(C(F)(F)F)O | CHEMBL536810 | inactive |
| Row5674 | TCMDC-134503 | COc1ccc(cn1)c2ccc3c(c2)c(ncc3c4ccc(cc4)F)N | CHEMBL587823 | inactive |
| Row5730 | TCMDC-134559 | CC(C)Oc1cc(cc(c1)N2CCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cc(cc(c4)OC)OC)O.Cl | CHEMBL535762 | inactive |
| Row6245 | TCMDC-135074 | CCOc1c(cccn1)CN2CCC(C2)N3CCc4c3ccc(c4)NC(=O)c5ccco5 | CHEMBL588138 | inactive |
| Row6335 | TCMDC-135164 | Cc1nc(cc(n1)NCc2ccccc2)NCCc3c[nH]cn3 | CHEMBL547361 | inactive |
| Row6683 | TCMDC-135512 | c1ccc(cc1)[C@H](COc2cccc3n2nc(c3c4ccncc4)c5cccc(c5)NC(=O)Nc6ccccc6)N | CHEMBL537792 | inactive |
| Row6787 | TCMDC-135617 | CC(C)CCn1c(nnc1Sc2ccc(c(c2)N(=O)=O)C#N)c3ccc(cc3)N(C)C | CHEMBL548857 | inactive |
| Row6801 | TCMDC-135631 | CN1CCN(CC1)Cc2cc3cc(ccc3s2)NC(=O)/C=C/c4ccc(cc4)Cl.Cl | CHEMBL537298 | inactive |
| Row6831 | TCMDC-135661 | CCc1cn2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4cccc(c4)F)[C@@H](CNC5CCOCC5)O.C(=O)O | CHEMBL536635 | inactive |
| Row6968 | TCMDC-135798 | c1ccc(cc1)Oc2ccc3c(c2)c(=O)c(c([nH]3)C(F)(F)F)Br | CHEMBL534280 | inactive |
| Row7179 | TCMDC-136009 | Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccc(cc4)N(=O)=O)C(=O)N.Cl | CHEMBL587897 | inactive |
| Row7398 | TCMDC-136232 | CCC(C)NS(=O)(=O)c1ccc2c(c1)n(c(n2)Nc3ccc(cc3)C)C4CCCCC4 | CHEMBL533811 | inactive |
| Row7764 | TCMDC-136598 | c1ccc(cc1)Nc2nccc(n2)NCC(c3ccc(cc3)C(F)(F)F)O | CHEMBL536383 | inactive |
| Row7785 | TCMDC-136619 | C[C@@H](c1ccccc1)Nc2c3cn[nH]c3nc(n2)C(C)(C)Oc4cccc(c4)OC | CHEMBL546163 | inactive |
| Row7822 | TCMDC-136656 | c1cc(ccc1N(c2nc(cs2)c3cc(cc(c3)F)C(F)(F)F)C4CCNCC4)F.C(=O)(C(F)(F)F)O | CHEMBL580585 | inactive |
| Row8229 | TCMDC-137063 | Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)NC(=O)c5cncn5C | CHEMBL586804 | inactive |
| Row8688 | TCMDC-137524 | c1ccc2cc(ccc2c1)C(=N)NCCc3ccccc3Cl.Cl | CHEMBL532783 | inactive |
| Row9212 | TCMDC-138048 | CCCc1cc(cc(c1O)CC=C)Cc2cnc(nc2N)N | CHEMBL24503 | inactive |
| Row9258 | TCMDC-138095 | Cc1cc(nc2c1ccc(c2)CNCCc3ccccc3Br)N.Cl | CHEMBL530905 | inactive |
| Row9262 | TCMDC-138099 | CCOC(=O)c1cc2c(cc1c3ccncc3)n(cc2CCN4C(=O)c5ccccc5C4=O)C | CHEMBL532017 | inactive |
| Row9352 | TCMDC-138189 | COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4cc5ccccc5s4 | CHEMBL525316 | inactive |
| Row9864 | TCMDC-138702 | Cc1ccc(cc1c2ccc(cc2)C(F)(F)F)C(=O)NCCCCN3CCC(CC3)c4ccc5c(c4OC)CCCC5 | CHEMBL548925 | inactive |
| Row10446 | TCMDC-139288 | CN1C(=O)C(NC1=Nc2[nH]c3cc(ccc3n2)OC)(c4ccccn4)c5ccccn5 | CHEMBL532455 | inactive |
| Row10869 | TCMDC-139725 | c1cc(ccc1c2csc(n2)Nc3ccncc3)c4csc(n4)Nc5ccncc5.Br | CHEMBL581626 | inactive |
| Row10972 | TCMDC-139833 | CCOc1c(cc(cc1OC)Br)CNCCCNc2cc(=O)c3ccccc3[nH]2 | CHEMBL160445 | inactive |
| Row11046 | TCMDC-139918 | c1ccc2c(c1)c(c[nH]2)C3CCN(CC3)CC4CCC(CC4)NC(=O)C=C5c6ccccc6-c7c5cccc7 | CHEMBL537306 | inactive |
| Row11064 | TCMDC-139938 | COc1cc(cc(c1)OC)C=CC(=O)N2CCC(CC2)CCN3CCC(CC3)c4c[nH]c5c4cccc5 | CHEMBL580815 | inactive |
| Row11624 | TCMDC-140512 | Cc1c(sc(c1Br)Br)CNCCCNc2[nH]c3cnccc3n2.Cl | CHEMBL528273 | inactive |
| Row11789 | TCMDC-140677 | COc1cc(nc2c1cccc2)NCCCNCc3cn(c4c3cccc4)Cc5cc(cc(c5)Br)Br | CHEMBL528481 | inactive |
| Row12187 | TCMDC-141075 | Cc1c(nc(nc1N2CCc3cc(ccc3C2C)O)Nc4ccc(cc4)F)C.Cl | CHEMBL530147 | inactive |
| Row12256 | TCMDC-141144 | Cn1c2cc(c(cc2oc1=O)CNC3CCN(CC3)C[C@@H](c4ccnc5c4cc(cc5)OC)O)F.C(=O)(C(=O)O)O | CHEMBL581793 | inactive |
| Row12289 | TCMDC-141177 | CC1(c2c(cccc2Cl)NC1=O)CCCCN3CCC(CC3)c4c[nH]c5c4ccnc5 | CHEMBL537294 | inactive |
| Row12325 | TCMDC-141213 | CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c3cc(nc4c3cc(cc4)OC)c5ccc6ccccc6c5)O.Cl | CHEMBL533149 | inactive |
| Row12408 | TCMDC-141297 | CCCCCCNC(=O)C1Cc2c3ccc(cc3[nH]c2C4(N1)CCN(CC4)CCC)Cl | CHEMBL531419 | inactive |
| Row12499 | TCMDC-141388 | CNC(=O)c1cnc(nc1Nc2cccc(c2)Br)Nc3ccc(cc3)OCC(CN(C)C)O.C(=O)(C(F)(F)F)O | CHEMBL528359 | inactive |
| Row12869 | TCMDC-141760 | c1ccc(cc1)C(=O)N2CC(COC2)(CCN3CCC(CC3)N4CCCC4)c5ccc(c(c5)Cl)Cl | CHEMBL587726 | inactive |
