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Q9NP59 | S40A1_HUMAN | Solute carrier family 40 member 1 (SLC40A1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4587045 OBDepict O HN O N N F N H N N H IC50 = 16.0 nM 408.44 O=C(NCc1ncccc1F)c1cnc(CCNCCc2nc3ccccc3[nH]2)o1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4462224 OBDepict O N H O N N F N N N H IC50 = 17.0 nM 420.45 O=C(NCc1ncccc1F)c1cnc(C2CN(CCc3nc4ccccc4[nH]3)C2)o1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4565338 OBDepict O N H N O N F N N N H IC50 = 19.0 nM 420.45 O=C(NCc1ncccc1F)c1coc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4442485 OBDepict F N N H N H O N N H O N F IC50 = 19.0 nM 426.43 O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3cc(F)ccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4468502 OBDepict O HN N O N F N H N N H F IC50 = 21.0 nM 426.43 O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(F)cccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4575243 OBDepict O HN N S N F N N N N N H H IC50 = 23.0 nM 568.68 O=C(NCc1ncccc1F)c1csc(CCN(CCc2nc3ccccc3[nH]2)CCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4581730 OBDepict O HN N O N F N H N N H Cl IC50 = 26.0 nM 442.88 O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(Cl)cccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4470632 OBDepict O N H N Cl S N F N H N N H ClH ClH ClH IC50 = 30.0 nM 568.33 Cl.Cl.Cl.O=C(NCc1ncccc1F)c1nc(CCNCCc2nc3ccccc3[nH]2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4456285 OBDepict O HN N O N Cl N H N N H IC50 = 31.0 nM 424.89 O=C(NCc1ncccc1Cl)c1coc(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4589376 OBDepict O HN N S N F N H N N H F IC50 = 34.0 nM 442.5 O=C(NCc1ncccc1F)c1csc(CCNCCc2nc3c(F)cccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4441062 OBDepict O N H N Cl S N Cl N H N N H IC50 = 35.0 nM 461.38 O=C(NCc1ncccc1Cl)c1nc(CCNCc2nc3ccccc3[nH]2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4459067 OBDepict O HN N O N N H F N N H IC50 = 36.0 nM 394.41 O=C(NCc1ncccc1F)c1coc(CNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4473202 OBDepict O N H N Cl S N F N N N H IC50 = 38.0 nM 470.96 O=C(NCc1ncccc1F)c1nc(C2CN(CCc3nc4ccccc4[nH]3)C2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4445738 OBDepict O HN N O N F N H N N H F F IC50 = 38.0 nM 444.42 O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(F)c(F)ccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4520569 OBDepict O N H N O N F N N N H F IC50 = 38.0 nM 438.44 O=C(NCc1ncccc1F)c1coc(C2CN(CCc3nc4c(F)cccc4[nH]3)C2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4573733 OBDepict O HN N S N N H N N H IC50 = 41.0 nM 432.55 O=C(NC1CCc2cccnc21)c1csc(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4579471 OBDepict F F N N H N H O N N H O N F IC50 = 44.0 nM 444.42 O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(F)cc(F)cc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4539480 OBDepict O HN N S N F N H N N H IC50 = 44.0 nM 424.51 O=C(NCc1ncccc1F)c1csc(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4456611 OBDepict O HN N O N F N H N N H F F F IC50 = 46.0 nM 476.43 O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(C(F)(F)F)cccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4462521 OBDepict O N H N O N N N N H IC50 = 47.0 nM 402.46 O=C(NCc1ccccn1)c1coc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4536483 OBDepict O NH N Cl S N N N N IC50 = 47.0 nM 452.97 O=C(NCc1ccccn1)c1nc(CCN2CCc3nc4ccccc4n3C2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4518192 OBDepict O HN N O N Cl N H N N H IC50 = 49.0 nM 410.87 O=C(NCc1ncccc1Cl)c1coc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4585912 OBDepict O NH N N N F N H N N H ClH ClH ClH ClH IC50 = 51.0 nM 553.3 Cl.Cl.Cl.Cl.O=C(NCc1ncccc1F)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4585288 OBDepict F N N H N N O N H O N F IC50 = 51.1 nM 438.44 O=C(NCc1ncccc1F)c1cnc(C2CN(CCc3nc4cc(F)ccc4[nH]3)C2)o1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4562191 OBDepict F N F HN O N S N H N N H ClH ClH ClH IC50 = 58.0 nM 551.88 Cl.Cl.Cl.O=C(NCc1ncc(F)cc1F)c1csc(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4580803 OBDepict O N H N CH 3 O N F N H N N H IC50 = 58.0 nM 422.46 Cc1oc(CCNCCc2nc3ccccc3[nH]2)nc1C(=O)NCc1ncccc1F Homo sapiens CHEMBL4419455 assay format
CHEMBL4440019 OBDepict O N H N CH 3 S N F N H N N H IC50 = 61.0 nM 438.53 Cc1sc(CCNCCc2nc3ccccc3[nH]2)nc1C(=O)NCc1ncccc1F Homo sapiens CHEMBL4419455 assay format
CHEMBL4442719 OBDepict O HN N O N N H N N H ClH ClH ClH IC50 = 66.0 nM 499.83 Cl.Cl.Cl.O=C(NCc1ccccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4593358 OBDepict O HN N S N F N H N N H ClH ClH ClH IC50 = 68.0 nM 519.86 Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4443017 OBDepict F N N H N H S N N H O N F ClH ClH ClH IC50 = 71.0 nM 551.88 Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc(CCNCCc2nc3cc(F)ccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4543450 OBDepict O HN N O N F N H N N H F F IC50 = 71.0 nM 444.42 O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(F)ccc(F)c3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4454025 OBDepict O N H O N N F N N N H F IC50 = 71.0 nM 438.44 O=C(NCc1ncccc1F)c1cnc(C2CN(CCc3nc4c(F)cccc4[nH]3)C2)o1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4476775 OBDepict O HN N N N Cl N H N N H IC50 = 73.0 nM 423.91 O=C(NCc1ncccc1Cl)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4586976 OBDepict O N H N S N F N N N H IC50 = 74.0 nM 436.52 O=C(NCc1ncccc1F)c1csc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4464039 OBDepict O HN N S N N H N N H IC50 = 76.0 nM 406.52 O=C(NCc1ccccn1)c1csc(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4436976 OBDepict O N H N S N Cl N N N H IC50 = 77.0 nM 452.97 O=C(NCc1ncccc1Cl)c1csc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4475199 OBDepict O HN N O N F N H N N H ClH ClH ClH IC50 = 80.0 nM 517.82 Cl.Cl.Cl.O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419478 cell-based format
CHEMBL4573402 OBDepict O HN N S N CH 3 N H N N H ClH ClH ClH IC50 = 87.0 nM 515.9 Cc1cccnc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1.Cl.Cl.Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4553819 OBDepict O N H N Cl S N F N H N N H IC50 = 89.0 nM 444.92 O=C(NCc1ncccc1F)c1nc(CCNCc2nc3ccccc3[nH]2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4587530 OBDepict O HN N N N N F N H N N H IC50 = 89.0 nM 408.44 O=C(NCc1ncccc1F)c1ncn(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4444990 OBDepict O NH N CH 3 N N N H F N N H IC50 = 93.0 nM 407.45 Cn1nc(CNCCc2nc3ccccc3[nH]2)cc1C(=O)NCc1ncccc1F Homo sapiens CHEMBL4419455 assay format
CHEMBL4452538 OBDepict CH 3 O N N H N H O N N H O N F IC50 = 96.0 nM 438.46 COc1cccc2[nH]c(CCNCCc3nc(C(=O)NCc4ncccc4F)co3)nc12 Homo sapiens CHEMBL4419455 assay format
CHEMBL4442044 OBDepict O N H N Cl S N N H N N H IC50 = 97.0 nM 426.93 O=C(NCc1ccccn1)c1nc(CCNCc2nc3ccccc3[nH]2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4536578 OBDepict O NH N Cl S N N H N N H IC50 = 100.0 nM 440.96 O=C(NCc1ccccn1)c1nc(CCNCCc2nc3ccccc3[nH]2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4449588 OBDepict O N H N N N F N N N H IC50 = 104.0 nM 419.46 O=C(NCc1ncccc1F)c1cnn(C2CN(CCc3nc4ccccc4[nH]3)C2)c1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4549900 OBDepict F N F HN O N S N H N N H F ClH ClH ClH IC50 = 112.0 nM 569.87 Cl.Cl.Cl.O=C(NCc1ncc(F)cc1F)c1csc(CCNCCc2nc3cc(F)ccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4516922 OBDepict O HN N O N F N H N N H ClH ClH ClH IC50 = 120.0 nM 503.79 Cl.Cl.Cl.O=C(NCc1ncccc1F)c1coc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4458066 OBDepict O HN N O N N H N N H F IC50 = 123.0 nM 408.44 O=C(NCc1ccccn1)c1coc(CCNCCc2nc3c(F)cccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL272552 OBDepict O S O NH N F F F IC50 = 130.0 nM 350.32 O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4592063 OBDepict O HN N N N N H N N H ClH ClH ClH IC50 = 133.0 nM 524.88 Cl.Cl.Cl.O=C(NC1CCc2cccnc21)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4453697 OBDepict O NH N CH 3 S N F NH N N H IC50 = 140.0 nM 424.51 Cc1sc(CCNCc2nc3ccccc3[nH]2)nc1C(=O)NCc1ncccc1F Homo sapiens CHEMBL4419455 assay format
CHEMBL4532240 OBDepict O N H N S F F F N F N H N N H IC50 = 140.0 nM 492.5 O=C(NCc1ncccc1F)c1nc(CCNCCc2nc3ccccc3[nH]2)sc1C(F)(F)F Homo sapiens CHEMBL4419455 assay format
CHEMBL4473798 OBDepict O N H N N F F F N F N H N N H IC50 = 140.0 nM 475.45 O=C(NCc1ncccc1F)c1cn(CCNCCc2nc3ccccc3[nH]2)nc1C(F)(F)F Homo sapiens CHEMBL4419455 assay format
CHEMBL4461241 OBDepict O HN N O N F N H N N H F IC50 = 148.1 nM 412.4 O=C(NCc1ncccc1F)c1coc(CCNCc2nc3c(F)cccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4516298 OBDepict O HN N Cl S N HO F N N N H IC50 = 154.0 nM 486.96 O=C(NCc1ncccc1F)c1nc(C2(O)CN(CCc3nc4ccccc4[nH]3)C2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4447099 OBDepict O HN N N N Cl N H N N H IC50 = 160.0 nM 409.88 O=C(NCc1ncccc1Cl)c1cnn(CCNCc2nc3ccccc3[nH]2)c1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4449134 OBDepict O HN N N N N H N N H IC50 = 172.0 nM 389.46 O=C(NCc1ccccn1)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4449419 OBDepict O HN N O N F N H N N H F Cl IC50 = 178.0 nM 460.87 O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(F)ccc(Cl)c3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4443815 OBDepict O N H S CH 3 N N F N H N N H IC50 = 180.0 nM 438.53 Cc1nc(CCNCCc2nc3ccccc3[nH]2)sc1C(=O)NCc1ncccc1F Homo sapiens CHEMBL4419455 assay format
CHEMBL4581028 OBDepict O N H N O N N N N N H IC50 = 182.0 nM 403.45 O=C(NCc1cccnn1)c1coc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4464796 OBDepict O NH N Cl S N N N H N N H IC50 = 190.0 nM 441.95 O=C(NCc1cccnn1)c1nc(CCNCCc2nc3ccccc3[nH]2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4569416 OBDepict O N H N O N N N N H F IC50 = 194.0 nM 420.45 O=C(NCc1ccccn1)c1coc(C2CN(CCc3nc4c(F)cccc4[nH]3)C2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4468807 OBDepict O HN N S N N N H N N H ClH ClH ClH IC50 = 214.0 nM 516.89 Cl.Cl.Cl.O=C(NCc1cccnn1)c1csc(CCNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4452473 OBDepict F N N H N H S N N H O N F ClH ClH ClH IC50 = 230.0 nM 537.85 Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc(CCNCc2nc3ccc(F)cc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4576379 OBDepict O HN N S N N H N N H IC50 = 233.0 nM 432.55 O=C(NC1CCCc2cccnc21)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4439059 OBDepict O HN N S N N H F N N H ClH ClH ClH IC50 = 250.0 nM 519.86 Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc(CNCCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL3969259 OBDepict F F N CH 3 S HN O O N IC50 = 250.0 nM 361.37 CN1C(c2ccc(F)c(F)c2)c2ccc3cccnc3c2NS1(=O)=O Homo sapiens CHEMBL3883076 cell-based format
CHEMBL3904075 OBDepict F N CH 3 S HN O O N O CH 3 IC50 = 250.0 nM 385.42 CC(=O)c1cc2c(c3ncccc13)NS(=O)(=O)N(C)C2c1ccc(F)cc1 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4530497 OBDepict F N Cl HN O N S N H N N H IC50 = 258.0 nM 444.92 O=C(NCc1ncc(F)cc1Cl)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4574441 OBDepict O N H N Cl S N N N H N N H IC50 = 260.0 nM 427.92 O=C(NCc1cccnn1)c1nc(CCNCc2nc3ccccc3[nH]2)sc1Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4573779 OBDepict CH 3 O N NH O N S N H N N H IC50 = 270.0 nM 422.51 COc1cccnc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4465580 OBDepict O HN N N N N Cl N H N N H IC50 = 280.0 nM 410.87 O=C(NCc1ncccc1Cl)c1ncn(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4436342 OBDepict O HN S N N F N H N N H IC50 = 282.0 nM 424.51 O=C(NCc1ncccc1F)c1cnc(CCNCCc2nc3ccccc3[nH]2)s1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4541033 OBDepict O N H S N N N H F N N H IC50 = 290.0 nM 410.48 O=C(NCc1ncccc1F)c1nc(CNCCc2nc3ccccc3[nH]2)cs1 Homo sapiens CHEMBL4419455 assay format
CHEMBL3896154 OBDepict H 3 C NH 2 S HN O O N IC50 = 300.0 nM 313.38 Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(N)c1 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL3912604 OBDepict O NH F F F S HN O O N IC50 = 307.0 nM 395.36 O=C(Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12)C(F)(F)F Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4558277 OBDepict O HN N S N Cl N H F F F N N H IC50 = 315.0 nM 494.93 O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL3894587 OBDepict Cl N HN S O O IC50 = 320.0 nM 316.77 O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2ccccc21 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4586182 OBDepict CH 3 N N NH O N S N H N N H ClH ClH ClH IC50 = 320.0 nM 530.91 Cc1ccc(CNC(=O)c2csc(CCNCCc3nc4ccccc4[nH]3)n2)nn1.Cl.Cl.Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4531764 OBDepict CH 3 N N HN O N Cl S N H N N H IC50 = 330.0 nM 455.98 Cc1cnc(CNC(=O)c2nc(CCNCCc3nc4ccccc4[nH]3)sc2Cl)nc1 Homo sapiens CHEMBL4419455 assay format
CHEMBL3959067 OBDepict F N H 3 C S NH O O N IC50 = 340.0 nM 343.38 CN1C(c2ccc(F)cc2)c2ccc3cccnc3c2NS1(=O)=O Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4458884 OBDepict O HN N N N F N H N N H IC50 = 350.0 nM 393.43 O=C(NCc1ncccc1F)c1cnn(CCNCc2nc3ccccc3[nH]2)c1 Homo sapiens CHEMBL4419455 assay format
CHEMBL3933529 OBDepict CH 3 S O O HN N IC50 = 360.0 nM 296.35 Cc1ccc2c(c1)S(=O)(=O)Nc1c-2ccc2cccnc12 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4555900 OBDepict O NH N S N F N N N N N H H IC50 = 370.0 nM 540.63 O=C(NCc1ncccc1F)c1csc(CCN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4521298 OBDepict O HN N S N Cl N H N N H IC50 = 374.0 nM 426.93 O=C(NCc1ncccc1Cl)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL3919322 OBDepict CH 3 N S NH O O N IC50 = 380.0 nM 299.36 Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)nc1 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL3966573 OBDepict N S NH O O N IC50 = 413.0 nM 309.35 N#Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4471349 OBDepict O HN N S CH 3 N H N N N H ClH ClH ClH IC50 = 418.0 nM 515.9 Cc1cnccc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1.Cl.Cl.Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL3956864 OBDepict F F F S N H O O N IC50 = 419.0 nM 352.34 O=S(=O)(Nc1cccc2cccnc12)c1ccccc1C(F)(F)F Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4457888 OBDepict CH 3 N H 3 C HN O N S N H N N H IC50 = 420.0 nM 420.54 Cc1cc(C)c(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)cn1 Homo sapiens CHEMBL4419455 assay format
CHEMBL3958839 OBDepict Cl N HN S O O O IC50 = 420.0 nM 400.89 O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(OC3CCCC3)ccc21 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4593321 OBDepict CH 3 N H 3 C NH O N S N H N N H IC50 = 430.0 nM 420.54 Cc1cnc(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)c(C)c1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4447684 OBDepict O N H N O N N N N N H F IC50 = 439.6 nM 421.44 O=C(NCc1cccnn1)c1coc(C2CN(CCc3nc4c(F)cccc4[nH]3)C2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4434703 OBDepict O N H N S N F N H CH 3 CH 3 N N H IC50 = 450.0 nM 452.56 CC(C)(CNCCc1nc(C(=O)NCc2ncccc2F)cs1)c1nc2ccccc2[nH]1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4447237 OBDepict F O F HN O N S N H N N H IC50 = 451.0 nM 457.51 O=C(NCc1ccccc1OC(F)F)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL3930846 OBDepict O S O NH N N IC50 = 460.0 nM 311.37 O=S1(=O)Nc2c(ccc3cccnc23)CN1c1ccccc1 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL3908826 OBDepict O S HN O N N F F F IC50 = 460.0 nM 353.32 O=S(=O)(Nc1ccc(C(F)(F)F)c2cccnc12)c1ccccn1 Homo sapiens CHEMBL3883076 cell-based format
CHEMBL4567247 OBDepict CH 3 N N NH O N S N H N N H ClH ClH ClH IC50 = 460.0 nM 530.91 Cc1cnc(CNC(=O)c2csc(CCNCCc3nc4ccccc4[nH]3)n2)nc1.Cl.Cl.Cl Homo sapiens CHEMBL4419455 assay format
CHEMBL4449812 OBDepict F N F HN O N S N H N N H IC50 = 478.0 nM 428.47 O=C(NCc1ncc(F)cc1F)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format
CHEMBL4470704 OBDepict N NH O N S N H N N H IC50 = 508.0 nM 416.51 N#Cc1ccccc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1 Homo sapiens CHEMBL4419455 assay format