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Q12908 | NTCP2_HUMAN | Ileal sodium/bile acid cotransporter (SLC10A2)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL370103 OBDepict H 3 C S H HO O O H H 3 C N H N H 3 C CH 3 NH O O HO IC50 = 0.3 nM 573.76 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NCC(=O)NCC(=O)O)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL194685 OBDepict H 3 C S H HO O O H H 3 C N O H 3 C CH 3 + N H 3 C IC50 = 0.75 nM 565.8 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3cc[n+](C)cc3)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL3658914 OBDepict CH 3 N H CH 3 S O O H N HN H 3 C CH 3 O HO O OH IC50 = 1.0 nM 559.73 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(N(C)C)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL372275 OBDepict CH 3 S H HO O O H H 3 C O CH 3 N O H 3 C CH 3 H 3 C IC50 = 2.0 nM 503.71 CCCCC1(CCCC)CS(=O)(=O)c2c(OC)cc(N(C)C)cc2[C@@H](c2ccc(OC)cc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL372324 OBDepict H 3 C S H OH O O H CH 3 N H N CH 3 H 3 C + N CH 3 IC50 = 2.0 nM 550.79 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(Nc3cc[n+](C)cc3)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387520 OBDepict CH 3 N H CH 3 S O O H O CH 3 O OH IC50 = 2.0 nM 473.64 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL197508 OBDepict H 3 C S H HO O O H CH 3 H 2 N N H 3 C CH 3 IC50 = 2.0 nM 458.67 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(N)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387421 OBDepict CH 3 HN H 3 C S O O H O N H O CH 3 S O O OH IC50 = 2.0 nM 538.69 CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCCS(=O)(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL3658901 OBDepict H 3 C N H 3 C S OH O O H O NH H 3 C O HO IC50 = 2.0 nM 490.62 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1O Homo sapiens CHEMBL3706108 single protein format
CHEMBL3658886 OBDepict CH 3 N H CH 3 S O O H O CH 3 CH 3 IC50 = 2.0 nM 429.63 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL194461 OBDepict H 3 C S H HO O O H CH 3 N HO H 3 C CH 3 IC50 = 2.2 nM 459.65 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(O)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL3658876 OBDepict H 3 C HN H 3 C S H O O O H 3 C CH 2 IC50 = 3.0 nM 413.58 C=Cc1cc2c(cc1OC)[C@@H](c1ccccc1)N[C@](CC)(CCCC)CS2(=O)=O Homo sapiens CHEMBL3706108 single protein format
CHEMBL196459 OBDepict H 3 C S H HO O O H CH 3 F N O H 3 C CH 3 H 3 C IC50 = 3.6 nM 491.67 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OC)c(F)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL426152 OBDepict H 3 C S H HO O O H H 3 C N S H 3 C CH 3 O O OH IC50 = 3.7 nM 537.74 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(CS(=O)(=O)O)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387521 OBDepict CH 3 N H CH 3 S H O O O H 3 C S O O OH IC50 = 4.0 nM 481.64 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CS(=O)(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL2387522 OBDepict CH 3 N H CH 3 S O O H O H 3 C S O O OH IC50 = 4.0 nM 509.69 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCS(=O)(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL2387397 OBDepict CH 3 N H CH 3 S O O H O HN CH 3 O OH IC50 = 4.0 nM 474.62 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL3658874 OBDepict CH 3 N H CH 3 S H O O O CH 3 CH 3 IC50 = 4.0 nM 401.57 CCCC[C@]1(CC)CS(=O)(=O)c2cc(C)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL2387527 OBDepict CH 3 N H CH 3 S H O O O O H 3 C S O O OH IC50 = 4.0 nM 511.66 CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCS(=O)(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL197311 OBDepict CH 3 S H OH O O H H 3 C N OH CH 3 H 3 C IC50 = 4.5 nM 473.68 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(CO)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL197639 OBDepict CH 3 CH 3 S H HO O O H N H 3 C CH 3 IC50 = 5.0 nM 415.6 CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccccc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL196475 OBDepict CH 3 S H HO O O H CH 3 S N H 3 C CH 3 IC50 = 5.0 nM 449.68 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccsc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL194792 OBDepict CH 3 S H HO O O H CH 3 N N H 3 C CH 3 IC50 = 5.0 nM 444.64 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccccn2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL3658910 OBDepict CH 3 HN S O O CH 3 O CH 3 HN O HO O OH IC50 = 6.0 nM 574.74 CCCCC1(CCCC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2C(c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL122498 OBDepict H 3 C NH S H HO O O H CH 3 H 2 N N H 3 C CH 3 IC50 = 6.0 nM 459.66 CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(N)c2)[C@H]1O Homo sapiens CHEMBL652040 cell-based format
CHEMBL196280 OBDepict H 3 C S H HO O O H H 3 C N O H 3 C CH 3 + N CH 3 IC50 = 6.0 nM 579.83 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3cc[n+](CC)cc3)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL3658888 OBDepict H 3 C N H H 3 C S H O O O H 3 C NH H 3 C IC50 = 6.0 nM 430.61 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL2387510 OBDepict CH 3 N H CH 3 S O O H O HN CH 3 O O OH IC50 = 6.0 nM 488.61 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL18219 OBDepict H 3 C S H HO O O H CH 3 N O H 3 C CH 3 H 3 C IC50 = 6.8 nM 473.68 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OC)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL196443 OBDepict H 3 C S H HO O O H CH 3 N O O H 3 C CH 3 CH 3 IC50 = 7.0 nM 501.69 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(C(=O)OC)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL371033 OBDepict H 3 C S H HO O O H CH 3 HO N H 3 C CH 3 IC50 = 7.3 nM 459.65 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(O)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL382076 OBDepict CH 3 S H HO O O H CH 3 N N H 3 C CH 3 IC50 = 7.5 nM 444.64 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccnc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL426998 OBDepict H 3 C S H OH O O H CH 3 N + N CH 3 H 3 C IC50 = 7.5 nM 535.77 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(C[n+]3ccccc3)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL370585 OBDepict CH 3 S H HO O O H CH 3 N N H 3 C CH 3 IC50 = 8.0 nM 444.64 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccncc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL341104 OBDepict H 3 C NH S H HO O O H CH 3 N HO H 3 C CH 3 IC50 = 8.0 nM 460.64 CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(O)cc2)[C@H]1O Homo sapiens CHEMBL652040 cell-based format
CHEMBL372088 OBDepict CH 3 S H OH O O H H 3 C N O CH 3 H 3 C O HO IC50 = 8.5 nM 559.77 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCCCC(=O)O)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387511 OBDepict CH 3 HN H 3 C S O O H O N H CH 3 O S O O OH IC50 = 9.0 nM 538.69 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)CS(=O)(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL538907 OBDepict CH 3 S H OH O O H H 3 C OH N OH CH 3 H 3 C IC50 = 9.5 nM 475.65 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(O)c(O)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL196243 OBDepict H 3 C S H HO O O H CH 3 N F H 3 C CH 3 IC50 = 10.0 nM 461.64 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(F)cc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL196658 OBDepict H 3 C S H HO O O H CH 3 N H 3 C CH 3 HO IC50 = 11.0 nM 473.68 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(CO)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387420 OBDepict H 3 C N H H 3 C S O O H O N H O CH 3 S O O OH IC50 = 11.0 nM 524.66 CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCS(=O)(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL197271 OBDepict CH 3 S H OH O O H H 3 C O N CH 3 CH 3 H 3 C IC50 = 11.0 nM 473.68 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(OC)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387526 OBDepict CH 3 N H CH 3 S H O O O O CH 3 O OH IC50 = 13.0 nM 489.63 CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCCC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL197152 OBDepict CH 3 S H HO O O H CH 3 N H 3 C CH 3 IC50 = 13.0 nM 443.65 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccccc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL3658902 OBDepict H 3 C NH CH 3 S O O H O N H H 3 C H O HO S O O CH 3 IC50 = 13.0 nM 580.77 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@@H](CCS(C)(=O)=O)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL2387519 OBDepict CH 3 N H CH 3 S H O O O CH 3 O OH IC50 = 17.0 nM 459.61 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL3658877 OBDepict CH 3 N H CH 3 S H O O O CH 3 H 3 C IC50 = 17.0 nM 415.6 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CC)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL3658903 OBDepict H 3 C N H H 3 C S O O H O N H 3 C HO O HO IC50 = 17.0 nM 490.62 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN(O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL446700 OBDepict H 3 C S H HO O O H CH 3 N H 3 C CH 3 HO IC50 = 17.0 nM 509.71 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc3cc(O)ccc3c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL196482 OBDepict CH 3 CH 3 S H HO O O H S F CH 3 IC50 = 19.0 nM 436.61 CCCC[C@]1(CC)CS(=O)(=O)c2ccc(SC)cc2[C@@H](c2ccc(F)cc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL3658915 OBDepict CH 3 N H CH 3 S O O H O HN O CH 3 O O O O IC50 = 19.0 nM 560.67 CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NC(COC=O)COC=O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL3658878 OBDepict H 3 C NH CH 3 S O O H O H 3 C N H O S O O CH 3 IC50 = 20.0 nM 536.72 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NS(C)(=O)=O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL372426 OBDepict CH 3 S H OH O O H H 3 C O N O CH 3 CH 3 H 3 C CH 3 IC50 = 20.0 nM 503.71 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OC)c(OC)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL3658912 OBDepict H 3 C N H S O O H 3 C O CH 3 P O OH OH IC50 = 21.0 nM 509.61 CCCCC1(CCCC)CS(=O)(=O)c2cc(CP(=O)(O)O)c(OC)cc2C(c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL370737 OBDepict CH 3 CH 3 S H HO O O H H 3 C F IC50 = 21.0 nM 404.55 CCCC[C@]1(CC)CS(=O)(=O)c2ccc(C)cc2[C@@H](c2ccc(F)cc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL193344 OBDepict CH 3 S H OH O O H H 3 C F N F CH 3 H 3 C IC50 = 22.0 nM 479.63 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(F)c(F)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL194239 OBDepict CH 3 S H HO O O H H 3 C N O H 3 C CH 3 N H O O OH IC50 = 23.0 nM 574.74 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCC(=O)NCC(=O)O)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2385105 OBDepict CH 3 N H CH 3 S H O O O H 3 C P O HO OH IC50 = 23.0 nM 481.55 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CP(=O)(O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL125997 OBDepict H 3 C NH S H HO O O H CH 3 N O H 3 C CH 3 H 3 C IC50 = 26.0 nM 474.67 CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OC)cc2)[C@H]1O Homo sapiens CHEMBL652040 cell-based format
CHEMBL196005 OBDepict CH 3 S H OH O O H H 3 C N O CH 3 H 3 C O OH IC50 = 27.0 nM 517.69 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCC(=O)O)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL380789 OBDepict CH 3 S H HO O O H H 3 C N O H 3 C CH 3 N IC50 = 28.0 nM 550.77 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccncc3)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL370572 OBDepict CH 3 S H HO O O H CH 3 S N H 3 C CH 3 IC50 = 30.0 nM 449.68 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccs2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387525 OBDepict CH 3 N H CH 3 S O O H O HN O CH 3 H 3 C CH 3 O HO IC50 = 32.0 nM 530.69 CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCC(C)(C)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL2387529 OBDepict CH 3 N H CH 3 S H O O O O CH 3 O OH IC50 = 34.0 nM 461.58 CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL341082 OBDepict CH 3 NH S H HO O O H CH 3 N H 3 C CH 3 IC50 = 35.0 nM 444.64 CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccccc2)[C@H]1O Homo sapiens CHEMBL652040 cell-based format
CHEMBL364658 OBDepict H 3 C S H HO O O H CH 3 N H 3 C CH 3 O O CH 3 IC50 = 41.0 nM 501.69 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(C(=O)OC)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387398 OBDepict H 3 C N H H 3 C S O O H O N H 3 C H 3 C O HO IC50 = 41.0 nM 488.65 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN(C)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL196159 OBDepict H 3 C S H HO O O H CH 3 N S H 3 C CH 3 H 3 C IC50 = 42.0 nM 489.75 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(SC)cc2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387408 OBDepict CH 3 N H CH 3 S O O H O HN CH 3 O HO O OH IC50 = 42.0 nM 546.69 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL122745 OBDepict CH 3 HN S H OH O O H H 3 C + N N O _ O CH 3 H 3 C IC50 = 44.0 nM 489.64 CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1O Homo sapiens CHEMBL652040 cell-based format
CHEMBL2387517 OBDepict CH 3 N H CH 3 S H O O O O H 3 C P O HO OH IC50 = 44.0 nM 511.58 CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCP(=O)(O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL372572 OBDepict H 3 C S H HO O O H H 3 C O N H 3 C CH 3 N CH 3 CH 3 IC50 = 45.0 nM 558.83 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(OCCN(CC)CC)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL371989 OBDepict CH 3 S H OH O O H H 3 C CH 3 F IC50 = 46.0 nM 432.6 CCCCC1(CCCC)CS(=O)(=O)c2ccc(C)cc2[C@@H](c2ccc(F)cc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL370886 OBDepict H 3 C S H HO O O H CH 3 N N H 3 C CH 3 CH 3 H 3 C IC50 = 47.0 nM 500.75 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(CN(C)C)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL2387403 OBDepict CH 3 N H CH 3 S O O H O HN CH 3 H O HO O OH IC50 = 47.0 nM 532.66 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@@H](CC(=O)O)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL3658890 OBDepict CH 3 N H CH 3 S O O H O HN CH 3 CH 3 H O OH IC50 = 47.0 nM 488.65 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@@H](C)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL332370 OBDepict H 3 C N H H 3 C S O O H O O CH 3 H 3 C IC50 = 48.0 nM 417.57 CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL652040 cell-based format
CHEMBL2387528 OBDepict CH 3 HN H 3 C S H O O O O CH 3 S O O OH IC50 = 50.0 nM 525.69 CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCCS(=O)(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL196037 OBDepict H 3 C S H HO O O H CH 3 O F CH 3 IC50 = 50.0 nM 448.6 CCCCC1(CCCC)CS(=O)(=O)c2ccc(OC)cc2[C@@H](c2ccc(F)cc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL2387523 OBDepict H 3 C NH CH 3 S H O O O H 3 C P O HO OH IC50 = 51.0 nM 495.58 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCP(=O)(O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL2387524 OBDepict CH 3 N H CH 3 S O O H O H 3 C P O HO OH IC50 = 51.0 nM 509.61 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCP(=O)(O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL3658904 OBDepict H 3 C N H 3 C S OH O O H O NH H 3 C O OH O HO IC50 = 51.0 nM 562.69 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1O Homo sapiens CHEMBL3706108 single protein format
CHEMBL193765 OBDepict H 3 C S H OH O O H CH 3 N H N CH 3 H 3 C N IC50 = 52.0 nM 535.75 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(Nc3ccncc3)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL3658913 OBDepict H 3 C N H H 3 C S O O H N NH CH 3 H 3 C O HO IC50 = 52.0 nM 487.67 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(=O)O)c(N(C)C)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL2387399 OBDepict CH 3 HN H 3 C S O O H O N H CH 3 S O O OH IC50 = 54.0 nM 524.71 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCS(=O)(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL372742 OBDepict CH 3 S H OH O O H H 3 C NH 2 IC50 = 54.0 nM 415.6 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N)cc2[C@@H](c2ccccc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL3658891 OBDepict CH 3 N H CH 3 S O O H O HN CH 3 CH 3 H O OH IC50 = 55.0 nM 488.65 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@H](C)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL372620 OBDepict CH 3 CH 3 S H HO O O H O CH 3 IC50 = 55.0 nM 402.56 CCCC[C@]1(CC)CS(=O)(=O)c2ccc(OC)cc2[C@@H](c2ccccc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL2387402 OBDepict CH 3 N H CH 3 S O O H O HN CH 3 H O HO O OH IC50 = 55.0 nM 532.66 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@H](CC(=O)O)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL364886 OBDepict CH 3 CH 3 S H HO O O H F N H IC50 = 59.0 nM 459.63 CCCC[C@]1(CC)CS(=O)(=O)c2ccc(C3CCNC3)cc2[C@@H](c2ccc(F)cc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL2387419 OBDepict CH 3 N H CH 3 S O O H O HN CH 3 H O HO HO IC50 = 59.0 nM 504.65 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@@H](CO)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL2388857 cell-based format
CHEMBL199148 OBDepict H 3 C S H HO O O H H 3 C N + N H 3 C CH 3 CH 3 H 3 C CH 3 IC50 = 67.0 nM 515.78 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(C[N+](C)(C)C)c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL3658879 OBDepict CH 3 N H CH 3 S O O H O CH 3 HN O OH IC50 = 68.0 nM 474.62 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NO)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL371674 OBDepict CH 3 CH 3 S H HO O O H H 2 N IC50 = 68.0 nM 387.55 CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N)cc2[C@@H](c2ccccc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL197260 OBDepict CH 3 CH 3 S H HO O O H O Br CH 3 IC50 = 70.0 nM 481.45 CCCC[C@]1(CC)CS(=O)(=O)c2ccc(Br)cc2[C@@H](c2cccc(OC)c2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL3658887 OBDepict CH 3 N H CH 3 S O O H O CH 3 HN O IC50 = 73.0 nM 472.65 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCNC=O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL3658875 OBDepict CH 3 N H CH 3 S H O O O CH 3 O NH 2 IC50 = 73.0 nM 430.57 CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(N)=O)c(OC)cc2[C@@H](c2ccccc2)N1 Homo sapiens CHEMBL3706108 single protein format
CHEMBL370717 OBDepict H 3 C S H HO O O H CH 3 N H 3 C CH 3 O H 3 C IC50 = 75.0 nM 523.74 CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc3cc(OC)ccc3c2)[C@H]1O Homo sapiens CHEMBL882493 cell-based format
CHEMBL370819 OBDepict CH 3 CH 3 S H HO O O H + N CH 3 H 3 C CH 3 IC50 = 83.0 nM 430.63 CCCC[C@]1(CC)CS(=O)(=O)c2ccc([N+](C)(C)C)cc2[C@@H](c2ccccc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format
CHEMBL197938 OBDepict CH 3 CH 3 S H HO O O H HN O CH 3 IC50 = 90.0 nM 429.58 CCCC[C@]1(CC)CS(=O)(=O)c2ccc(NC(C)=O)cc2[C@@H](c2ccccc2)[C@H]1O Homo sapiens CHEMBL881968 cell-based format