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Q99835 | SMO_HUMAN | Smoothened homolog (SMO)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // Frizzled ]

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[ Domain: "Frizzled cysteine-rich domain-related" // Fz ]

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[ Domain: "Cytochromes" // Flavodoxin_1 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ 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
CHEMBL4632769 OBDepict O NH CH 3 O CH 3 N N H N IC50 = 0.08 nM 398.47 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL4610911 cell-based format
CHEMBL4637222 OBDepict H 3 C N N H 3 C N H CH 3 O O N IC50 = 0.2 nM 412.49 Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL4610911 cell-based format
CHEMBL1083915 OBDepict H 3 C N N N H CH 3 N O IC50 = 0.4 nM 422.53 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1086467 OBDepict Cl N N N H H 3 C N O IC50 = 0.7 nM 442.95 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL538867 OBDepict CH 3 O H H CH 3 H H H H N H CH 3 H H H 3 C H N H S O O CH 3 IC50 = 1.4 nM 504.78 CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C Homo sapiens CHEMBL1031015 cell-based format
CHEMBL1084835 OBDepict O N N H CH 3 N N IC50 = 2.2 nM 408.51 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1084730 OBDepict O N N H CH 3 N N IC50 = 2.3 nM 448.57 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C3CC3)cc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL2059863 OBDepict O HN H 3 C O N N H N F F F IC50 = 2.4 nM 452.44 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL2059865 OBDepict O HN H 3 C O N N H N IC50 = 2.4 nM 384.44 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL4610911 cell-based format
CHEMBL2059864 OBDepict O HN H 3 C O N N H N CH 3 IC50 = 2.6 nM 398.47 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL1084734 OBDepict OH N N N H CH 3 N O IC50 = 2.7 nM 438.53 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1084738 OBDepict O N N H CH 3 N N F F F IC50 = 2.8 nM 476.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1823863 OBDepict O N N H N O N N N N H 3 C IC50 = 3.0 nM 409.49 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 Homo sapiens CHEMBL1827521 cell-based format
CHEMBL1084736 OBDepict N N N N H CH 3 N O IC50 = 3.1 nM 433.52 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1083284 OBDepict H 3 C N N N N H CH 3 O IC50 = 3.2 nM 422.53 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c3ccccc23)cc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1083914 OBDepict O N H CH 3 N N N F F F IC50 = 3.6 nM 476.5 C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL4441310 OBDepict O NH N CH 3 N S N N N N H N CH 3 IC50 = 3.9 nM 494.67 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 Homo sapiens CHEMBL4394253 cell-based format
CHEMBL1813106 OBDepict Cl N N H N O N H O N O H H IC50 = 4.0 nM 501.97 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 Homo sapiens CHEMBL1816319 cell-based format
CHEMBL2160067 OBDepict Cl N N NH H N N N O H CH 3 IC50 = 4.0 nM 497.0 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 Homo sapiens CHEMBL2161257 cell-based format
CHEMBL2142592 OBDepict F F F F N O CH 3 N N N N CH 3 N IC50 = 4.17 nM 512.51 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 Homo sapiens CHEMBL4628152 cell-based format
CHEMBL1085503 OBDepict H 3 C N N N N O IC50 = 4.4 nM 408.51 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL515916 OBDepict CH 3 N N N H 3 C N N IC50 = 4.74 nM 373.5 Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL1211948 cell-based format
CHEMBL561533 OBDepict H 3 C NH O H 3 C N N O CH 3 IC50 = 5.0 nM 379.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1 Homo sapiens CHEMBL1060787 cell-based format
CHEMBL2031290 OBDepict CH 3 O O O CH 3 H 3 C N H O N H NH N H H 3 C O IC50 = 5.0 nM 538.6 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC Homo sapiens CHEMBL2033036 cell-based format
CHEMBL1822467 OBDepict O N N H N N O N N N N CH 3 IC50 = 5.0 nM 492.63 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 Homo sapiens CHEMBL1827061 cell-based format
CHEMBL2059859 OBDepict O HN H 3 C O N N H N IC50 = 5.0 nM 434.5 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL2059866 OBDepict H 3 C N N N H CH 3 O O N IC50 = 5.0 nM 398.47 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL1084837 OBDepict Cl N N N N O IC50 = 5.2 nM 428.92 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1084737 OBDepict O N N H CH 3 N N N CH 3 CH 3 IC50 = 5.2 nM 451.57 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1086045 OBDepict O N H CH 3 N N N IC50 = 5.3 nM 408.51 C[C@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL3604610 OBDepict CH 3 N H O N S N HN Cl O IC50 = 5.6 nM 422.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 Homo sapiens CHEMBL3607128 cell-based format
CHEMBL2105737 OBDepict O NH CH 3 N N O H H 3 C O H H 3 C F F F Ki = 6.0 nM 485.51 Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1 Homo sapiens CHEMBL2162705 cell-based format
CHEMBL2059862 OBDepict O NH CH 3 O N N CH 3 N H 3 C IC50 < 6.0 nM 412.49 Cc1ccc(-c2ncc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL3692719 OBDepict H 3 C N CH 3 Cl N N NH S O O H 3 C IC50 = 6.4 nM 394.93 Cc1cnc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3186656 OBDepict CH 3 N H 3 C Cl N N N O S O O CH 3 IC50 = 6.8 nM 436.97 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL1083285 OBDepict Cl N N N N H H 3 C O IC50 = 7.0 nM 442.95 C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL2059867 OBDepict O HN H 3 C O N N N H CH 3 IC50 = 7.0 nM 398.47 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL474503 OBDepict O N H CH 3 H N H F F F S IC50 = 7.0 nM 506.59 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL1029071 cell-based format
CHEMBL474507 OBDepict H 3 C N S N H H N H O CH 3 F F F IC50 = 7.0 nM 521.61 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 Homo sapiens CHEMBL1029071 cell-based format
CHEMBL1813111 OBDepict F N N N H N O N H O N O H H IC50 = 7.0 nM 474.5 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 Homo sapiens CHEMBL1816319 cell-based format
CHEMBL473417 OBDepict O N H Cl S O O CH 3 Cl N IC50 = 7.0 nM 421.31 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 Homo sapiens CHEMBL2033036 cell-based format
CHEMBL1823864 OBDepict O N N H N O N F F N N N H 3 C IC50 = 7.0 nM 445.47 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 Homo sapiens CHEMBL1827521 cell-based format
CHEMBL3696808 OBDepict F N H 3 C Cl N N N O S O O CH 3 IC50 = 7.11 nM 440.93 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl Homo sapiens CHEMBL3705942 assay format
CHEMBL1084731 OBDepict O N N H CH 3 N N CH 3 CH 3 IC50 = 7.3 nM 450.59 CC(C)c1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1822466 OBDepict O N N H N N O N N N IC50 = 8.0 nM 489.62 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 Homo sapiens CHEMBL1827061 cell-based format
CHEMBL485870 OBDepict CH 3 OH CH 3 N N N N N IC50 = 8.0 nM 439.56 CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 Homo sapiens CHEMBL995460 cell-based format
CHEMBL1209158 OBDepict H 3 C O O F N N CH 3 N IC50 = 8.27 nM 367.42 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 Homo sapiens CHEMBL1211948 cell-based format
CHEMBL2059871 OBDepict O HN H 3 C O N H N N F F F IC50 = 9.0 nM 452.44 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL2059868 OBDepict O N H H 3 C O N H 3 C N H N IC50 = 9.0 nM 398.47 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL1083104 OBDepict O N N S N N N IC50 = 9.5 nM 401.5 O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL3696752 OBDepict O N S N O O H 3 C N Cl N H 3 C IC50 = 9.84 nM 422.94 Cc1cccnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl Homo sapiens CHEMBL3705942 assay format
CHEMBL1822465 OBDepict O N N H N N O N N O N IC50 = 10.0 nM 491.6 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 Homo sapiens CHEMBL1827061 cell-based format
CHEMBL3604612 OBDepict H 3 C NH O N S N N H Cl O Cl IC50 = 10.0 nM 457.34 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 Homo sapiens CHEMBL3607128 cell-based format
CHEMBL1209095 OBDepict F N N H 3 C N Cl N IC50 = 10.0 nM 384.89 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 Homo sapiens CHEMBL1211949 cell-based format
CHEMBL471672 OBDepict H 3 C O N H H N H O CH 3 F F F IC50 = 10.0 nM 504.55 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 Homo sapiens CHEMBL1029071 cell-based format
CHEMBL1084733 OBDepict O N N H CH 3 N N CH 3 CH 3 CH 3 IC50 = 10.1 nM 464.61 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL3696810 OBDepict F N H 3 C Cl N N HN S O O HO CH 3 CH 3 IC50 = 10.6 nM 456.97 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CC(C)(C)O)CC2)ncc1Cl Homo sapiens CHEMBL3705942 assay format
CHEMBL1083739 OBDepict F N N N N O IC50 = 10.8 nM 412.47 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1086048 OBDepict O N N H CH 3 N N IC50 = 11.0 nM 408.51 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL3696776 OBDepict H 3 C N CH 3 Cl N N S O O H 2 N IC50 = 11.1 nM 394.93 Cc1cnc(-c2cc(N3CCC(CS(N)(=O)=O)CC3)ncc2Cl)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3696809 OBDepict F N H 3 C Cl N N N S O O OH H 3 C H 3 C IC50 = 11.4 nM 442.94 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CC(C)(C)O)CC2)ncc1Cl Homo sapiens CHEMBL3705942 assay format
CHEMBL3696785 OBDepict H 3 C N CH 3 Cl N N NH S O O IC50 = 11.5 nM 420.97 Cc1cnc(-c2cc(N3CCC(NS(=O)(=O)C4CC4)CC3)ncc2Cl)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3696779 OBDepict CH 3 S NH O O N N Cl N CH 3 H 3 C IC50 = 11.6 nM 408.96 CCS(=O)(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3696798 OBDepict CH 3 N H 3 C N N N O S O O H 3 C IC50 = 11.6 nM 402.52 Cc1cnc(-c2ccnc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)c2)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL1083605 OBDepict F N N N N H H 3 C O IC50 = 11.8 nM 426.5 C[C@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1807222 OBDepict O N NH N N O N O H H IC50 = 12.0 nM 467.53 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 Homo sapiens CHEMBL1810043 cell-based format
CHEMBL1813105 OBDepict O N HN N H N O N O H H IC50 = 12.0 nM 467.53 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 Homo sapiens CHEMBL1816319 cell-based format
CHEMBL2059870 OBDepict O N H CH 3 O H 3 C N CH 3 N N H 3 C IC50 = 12.0 nM 426.52 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL3696813 OBDepict CH 3 N H 3 C N N N O N H H 3 C O H H 3 C IC50 = 12.1 nM 423.56 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4C[C@H](C)O[C@H](C)C4)CC3)c2)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3696800 OBDepict CH 3 N H 3 C N N HN S O O H 3 C IC50 = 12.2 nM 360.48 Cc1cnc(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3696757 OBDepict H 3 C N CH 3 Cl N N S O O H 3 C IC50 = 12.4 nM 393.94 Cc1cnc(-c2cc(N3CCC(CS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL1083103 OBDepict O N O N N N IC50 = 13.0 nM 384.44 O=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1813114 OBDepict O N N H N N CH 3 N O N O H H IC50 = 13.0 nM 470.53 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O Homo sapiens CHEMBL1816319 cell-based format
CHEMBL1086284 OBDepict O N H CH 3 N N N IC50 = 13.0 nM 408.51 C[C@@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1807231 OBDepict O N N H N N N O N O H H IC50 = 13.0 nM 456.51 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 Homo sapiens CHEMBL1810043 cell-based format
CHEMBL1822468 OBDepict O N N H N O N F F N N IC50 = 13.0 nM 442.47 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 Homo sapiens CHEMBL1827061 cell-based format
CHEMBL473896 OBDepict O N H CH 3 H N H F F F IC50 = 14.0 nM 500.56 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL1029071 cell-based format
CHEMBL3696780 OBDepict O N H S O O H 3 C N N Cl N CH 3 CH 3 IC50 = 14.7 nM 450.99 Cc1cnc(-c2cc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3696814 OBDepict CH 3 N H 3 C N N N O N O IC50 = 14.8 nM 395.51 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL497266 OBDepict CH 3 NH 2 CH 3 N N N N N IC50 = 15.0 nM 438.58 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 Homo sapiens CHEMBL995460 cell-based format
CHEMBL1822463 OBDepict O N N H N O N N O N N CH 3 IC50 = 15.0 nM 493.61 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 Homo sapiens CHEMBL1827062 cell-based format
CHEMBL1813109 OBDepict O N N H N N H N O N O H H IC50 = 15.0 nM 456.51 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 Homo sapiens CHEMBL1816319 cell-based format
CHEMBL1083738 OBDepict CH 3 O N N N N O IC50 = 15.0 nM 424.5 COc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL1082387 OBDepict O N N N N CH 3 IC50 = 15.0 nM 408.51 Cc1ccccc1-c1nnc(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc12 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL3696784 OBDepict HO S N H O O N N Cl N IC50 = 15.2 nM 396.9 O=S(=O)(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 Homo sapiens CHEMBL3705942 assay format
CHEMBL2059861 OBDepict O HN H 3 C O N N H 3 C N IC50 < 16.0 nM 398.47 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Homo sapiens CHEMBL2061994 cell-based format
CHEMBL1813107 OBDepict N N N H N O N H O N O H H IC50 = 16.0 nM 492.54 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 Homo sapiens CHEMBL1816319 cell-based format
CHEMBL1822447 OBDepict CH 3 HN H 3 C N H N O O N N N IC50 = 16.0 nM 462.6 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 Homo sapiens CHEMBL1827061 cell-based format
CHEMBL473417 OBDepict O N H Cl S O O CH 3 Cl N Ki = 16.2 nM 421.31 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 Homo sapiens CHEMBL2162705 cell-based format
CHEMBL3696791 OBDepict Cl N N N N H S O O IC50 = 16.5 nM 392.91 O=S(=O)(NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1)C1CC1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3696775 OBDepict H 3 C N N Cl N NH S O O H 3 C IC50 = 17.0 nM 380.9 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Cl)nc1 Homo sapiens CHEMBL3705942 assay format
CHEMBL497238 OBDepict N N N N H H 3 C N N IC50 = 17.0 nM 420.52 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 Homo sapiens CHEMBL995460 cell-based format
CHEMBL1084836 OBDepict O N N N N Cl Cl IC50 = 17.3 nM 463.37 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 Homo sapiens CHEMBL1120457 cell-based format
CHEMBL3692755 OBDepict H 3 C N N N N HN S O O H 3 C IC50 = 17.7 nM 347.44 Cc1cccnc1-c1ccnc(N2CCC(NS(C)(=O)=O)CC2)n1 Homo sapiens CHEMBL3705942 assay format
CHEMBL3696796 OBDepict O N H S O O H 3 C N N F Cl N CH 3 CH 3 IC50 = 17.8 nM 468.98 Cc1cnc(-c2c(Cl)cnc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)c2F)c(C)c1 Homo sapiens CHEMBL3705942 assay format
CHEMBL4532846 OBDepict O NH N CH 3 N S N N N N H CH 3 IC50 = 18.0 nM 493.68 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 Homo sapiens CHEMBL4394253 cell-based format
CHEMBL1813110 OBDepict Cl N N N H N O N H O N O H H IC50 = 18.0 nM 490.95 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 Homo sapiens CHEMBL1816319 cell-based format
CHEMBL3818447 OBDepict O N S O N Cl N N H 3 C IC50 = 18.0 nM 493.03 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21 Homo sapiens CHEMBL3822088 cell-based format
CHEMBL3692713 OBDepict Cl N N N H 3 C N H S O O CH 3 IC50 = 18.7 nM 380.9 Cc1cccnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl Homo sapiens CHEMBL3705942 assay format
CHEMBL3692717 OBDepict Cl N Cl Cl N N HN S O O CH 3 IC50 = 18.8 nM 435.76 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1 Homo sapiens CHEMBL3705942 assay format