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O14842 | FFAR1_HUMAN | Free fatty acid receptor 1 (FFAR1)

3D structures mapped by conservation among orthologs

[ Domain: "Lysozyme-like" // Phage_lysozyme_2 ]

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[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_3 ]

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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
CHEMBL4787010 OBDepict H 3 C H O OH O F F F N Ki = 1.1 nM 559.63 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4793371 OBDepict H 3 C H O OH O CH 3 N Ki = 1.3 nM 505.66 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4798993 OBDepict H 3 C H O OH O Cl N Ki = 1.5 nM 526.08 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4797858 OBDepict CH 3 H O OH O N N Ki = 1.5 nM 570.73 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL1829173 OBDepict H 3 C H O OH O F F F Ki = 2.2 nM 438.45 CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4781604 OBDepict CH 3 H O OH O O H 3 C N Ki = 2.5 nM 521.66 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4788206 OBDepict CH 3 H O OH O N N H 3 C F F F Ki = 2.7 nM 576.66 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4797124 OBDepict H 3 C H O OH O S CH 3 N Ki = 3.5 nM 511.69 CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4785057 OBDepict H O OH H 3 C O N N H 3 C Cl Ki = 3.5 nM 543.11 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4798023 OBDepict H 3 C H O OH O F N Ki = 4.0 nM 509.62 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4800563 OBDepict CH 3 H O OH O N N H 3 C H 3 C Ki = 4.1 nM 536.72 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4791842 OBDepict H 3 C H O OH O N Ki = 4.6 nM 493.65 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL3915620 OBDepict H 3 C H O OH O N Ki = 4.7 nM 491.63 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL4782004 OBDepict H 3 C H O OH O S N Ki = 4.8 nM 497.66 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL2022256 OBDepict HO O O O O CH 3 CH 3 Ki = 6.9 nM 494.59 Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1OCc1ccccc1 Homo sapiens CHEMBL2027153 cell-based format
CHEMBL1829174 OBDepict HO O H O O CH 3 CH 3 O S O O CH 3 Ki = 7.7 nM 524.64 Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4787498 OBDepict H 3 C H O OH O S N Ki = 8.2 nM 499.68 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4101901 OBDepict CH 3 H O HO O S N Ki = 8.2 nM 485.65 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(N3CCC4(CCc5ccccc54)CC3)s2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL2047161 OBDepict H 3 C N O CH 3 CH 3 O O H O OH ClH Ki = 8.8 nM 538.08 Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1.Cl Homo sapiens CHEMBL2050357 cell-based format
CHEMBL4073525 OBDepict OH O H N H F F F O CH 3 O Ki = 10.0 nM 485.5 Cc1cc(OCc2ccccc2)ccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 Homo sapiens CHEMBL4053224 cell-based format
CHEMBL2047164 OBDepict CH 3 O H 3 C O S O O H 3 C O H O OH Ki = 11.0 nM 552.69 CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL4780641 OBDepict H 3 C H O OH O N N CH 3 Ki = 11.0 nM 508.66 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL1777861 OBDepict CH 3 O OH O O F F F F F IC50 = 12.0 nM 414.33 CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 Homo sapiens CHEMBL1780444 cell-based format
CHEMBL2048618 OBDepict CH 3 O O CH 3 H 3 C O F O OH Ki = 12.0 nM 466.55 CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2048620 OBDepict OH O F O H 3 C CH 3 O N CH 3 ClH Ki = 12.0 nM 522.02 Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1.Cl Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2047162 OBDepict OH O H O O CH 3 CH 3 O S H 3 C N CH 3 Ki = 12.0 nM 529.66 Cc1nc(C)c(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OC[C@H]5CC(=O)O)c3)c(C)c2)s1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2047170 OBDepict HO O H O O CH 3 CH 3 Cl Cl O S O O CH 3 Ki = 12.0 nM 593.53 Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL1777864 OBDepict CH 3 O OH O N IC50 = 13.0 nM 355.39 CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 Homo sapiens CHEMBL1780444 cell-based format
CHEMBL4079930 OBDepict HO O H N H F F F O CH 3 Cl Ki = 13.0 nM 413.82 Cc1c(Cl)cccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 Homo sapiens CHEMBL4053224 cell-based format
CHEMBL4787628 OBDepict CH 3 H F O OH O N Ki = 13.0 nM 509.62 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4786335 OBDepict CH 3 H O OH O N N H 3 C CH 3 Ki = 14.0 nM 522.69 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL3927519 OBDepict CH 3 H O OH O N N N CH 3 CH 3 Ki = 15.0 nM 439.52 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL2048616 OBDepict OH O O CH 3 H 3 C O Ki = 15.0 nM 466.58 Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2048622 OBDepict CH 3 S O O O CH 3 H 3 C O F O HO Ki = 15.0 nM 514.62 CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2047163 OBDepict HO O H O O CH 3 CH 3 O N N Ki = 15.0 nM 534.61 Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2048623 OBDepict OH O F O CH 3 CH 3 O S O O Ki = 16.0 nM 526.63 Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2048615 OBDepict OH O O CH 3 CH 3 O Ki = 16.0 nM 430.54 Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL4799453 OBDepict CH 3 H O HO O N O O Ki = 16.0 nM 523.63 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL2048626 OBDepict OH O F N H CH 3 CH 3 O S O O Ki = 18.0 nM 525.64 Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2047168 OBDepict HO O H O O CH 3 CH 3 F O S O O CH 3 Ki = 18.0 nM 542.63 Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2022576 OBDepict OH O O O CH 3 H 3 C O Ki = 18.0 nM 494.59 Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 Homo sapiens CHEMBL2027153 cell-based format
CHEMBL2048628 OBDepict CH 3 O O CH 3 H 3 C N H F O OH ClH Ki = 18.0 nM 502.03 CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1.Cl Homo sapiens CHEMBL2051552 cell-based format
CHEMBL1777876 OBDepict CH 3 O O N H O O O F F F F F IC50 = 19.0 nM 455.33 CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O Homo sapiens CHEMBL1780444 cell-based format
CHEMBL2048627 OBDepict OH O F N H CH 3 CH 3 O OH S O O Ki = 19.0 nM 555.67 Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2047169 OBDepict HO O H O O CH 3 CH 3 Cl O S O O CH 3 Ki = 19.0 nM 559.08 Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2048624 OBDepict OH O F O CH 3 CH 3 O OH S O O Ki = 19.0 nM 556.65 Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2048619 OBDepict OH O F O CH 3 CH 3 O O Ki = 20.0 nM 478.56 Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2048625 OBDepict CH 3 S O O O CH 3 H 3 C N H F O HO Ki = 20.0 nM 513.63 CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL4792075 OBDepict H 3 C H O OH O O N Ki = 20.0 nM 481.59 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL2047151 OBDepict OH O O O CH 3 H 3 C O H 3 C O Ki = 21.0 nM 488.58 Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2048621 OBDepict OH O F O CH 3 H 3 C O N O Ki = 21.0 nM 519.61 Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL1777862 OBDepict CH 3 O OH O Cl N IC50 = 23.0 nM 339.78 CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 Homo sapiens CHEMBL1780444 cell-based format
CHEMBL2048617 OBDepict CH 3 O O H 3 C CH 3 O O OH Ki = 23.0 nM 448.56 CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2047149 OBDepict CH 3 O O H 3 C CH 3 O O H O HO Ki = 23.0 nM 476.57 CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL1777872 OBDepict CH 3 O HO O S N H 3 C IC50 = 23.0 nM 431.56 CC#CC(CC(=O)O)c1ccc(OC2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 Homo sapiens CHEMBL1780444 cell-based format
CHEMBL2047157 OBDepict OH O H O O H 3 C CH 3 O HO S O O Ki = 24.0 nM 566.67 Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2048614 OBDepict CH 3 O CH 3 H 3 C O O OH Ki = 25.0 nM 390.48 COc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2047152 OBDepict OH O H O O CH 3 H 3 C O H 3 C O Ki = 25.0 nM 488.58 Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL3955132 OBDepict CH 3 H O HO O S N O H 3 C Ki = 27.0 nM 475.61 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL4784555 OBDepict CH 3 H O OH O N N H 3 C O CH 3 Ki = 29.0 nM 538.69 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL1777866 OBDepict CH 3 O OH O N Cl F F F IC50 = 30.0 nM 383.75 CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 Homo sapiens CHEMBL1780444 cell-based format
CHEMBL2047167 OBDepict OH O H O O H 3 C CH 3 F O S O O Ki = 31.0 nM 554.64 Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2047160 OBDepict OH O H O O CH 3 H 3 C O N O Ki = 31.0 nM 529.63 Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2022577 OBDepict CH 3 O O H 3 C CH 3 O O O HO Ki = 32.0 nM 476.57 CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 Homo sapiens CHEMBL2027153 cell-based format
CHEMBL4082711 OBDepict CH 3 H O OH O N N N H 3 C H 3 C Ki = 32.0 nM 453.54 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL1688473 OBDepict OH O F O H 3 C CH 3 Ki = 32.0 nM 378.44 Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 Homo sapiens CHEMBL2027153 cell-based format
CHEMBL2047166 OBDepict HO O H O O CH 3 CH 3 H 3 C H 3 C O S O O CH 3 Ki = 33.0 nM 552.69 Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OCCCS(C)(=O)=O Homo sapiens CHEMBL2050357 cell-based format
CHEMBL4089171 OBDepict OH O H N H F F F O H 3 C Ki = 35.0 nM 379.38 Cc1ccccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 Homo sapiens CHEMBL4053224 cell-based format
CHEMBL4059614 OBDepict CH 3 H O OH O N N N N Ki = 35.0 nM 436.47 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL2022258 OBDepict HO O O O CH 3 H 3 C CH 3 Ki = 36.0 nM 402.49 Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 Homo sapiens CHEMBL2027153 cell-based format
CHEMBL2047155 OBDepict HO O H O O CH 3 CH 3 O S O O Ki = 36.0 nM 536.65 Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL1777863 OBDepict CH 3 O OH O Br N IC50 = 36.0 nM 384.23 CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Br)cc1 Homo sapiens CHEMBL1780444 cell-based format
CHEMBL4101472 OBDepict CH 3 H O OH O N N N O OH H 3 C H 3 C Ki = 37.0 nM 513.59 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL2047158 OBDepict H 3 C S O O O H 3 C CH 3 O O H O HO Ki = 37.0 nM 524.64 CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2047159 OBDepict HO O H O O CH 3 CH 3 O S O O CH 3 OH 2 Ki = 38.0 nM 542.65 Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1.O Homo sapiens CHEMBL2050357 cell-based format
CHEMBL4069191 OBDepict CH 3 O H 3 C O N H H F F F O HO Ki = 39.0 nM 409.4 COc1ccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c(C)c1 Homo sapiens CHEMBL4053224 cell-based format
CHEMBL2047165 OBDepict HO O H O O CH 3 CH 3 CH 3 H 3 C O S O O Ki = 40.0 nM 564.7 Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OC1CCS(=O)(=O)CC1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL1777860 OBDepict CH 3 O OH O CH 3 F F F IC50 = 40.0 nM 362.35 CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 Homo sapiens CHEMBL1780444 cell-based format
CHEMBL2022252 OBDepict OH O O O H 3 C Ki = 41.0 nM 424.5 Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 Homo sapiens CHEMBL2027153 cell-based format
CHEMBL1777870 OBDepict CH 3 O OH O H IC50 = 42.0 nM 320.39 CC#CC(CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 Homo sapiens CHEMBL1780444 cell-based format
CHEMBL2022584 OBDepict CH 3 O O H 3 C CH 3 N H O O HO ClH Ki = 43.0 nM 512.05 CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1.Cl Homo sapiens CHEMBL2027153 cell-based format
CHEMBL4082395 OBDepict CH 3 O F H 3 C N H H F F F O OH Ki = 45.0 nM 501.52 COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 Homo sapiens CHEMBL4053224 cell-based format
CHEMBL1688486 OBDepict OH O O H 3 C CH 3 Ki = 46.0 nM 360.45 Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2048613 OBDepict CH 3 O H 3 C CH 3 O O HO Ki = 47.0 nM 390.48 COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1-c1c(C)cccc1C Homo sapiens CHEMBL2051552 cell-based format
CHEMBL4060499 OBDepict H 3 C O F CH 3 O N H H F F F O HO Ki = 49.0 nM 517.52 COc1ccc(F)c(Cc2cccc(Oc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c2C)c1 Homo sapiens CHEMBL4053224 cell-based format
CHEMBL1777855 OBDepict CH 3 F O OH O O F F F F F IC50 = 49.0 nM 432.32 CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F Homo sapiens CHEMBL1780444 cell-based format
CHEMBL2022257 OBDepict OH O O O H 3 C CH 3 Ki = 57.0 nM 388.46 Cc1ccc(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 Homo sapiens CHEMBL2027153 cell-based format
CHEMBL2048610 OBDepict OH O O CH 3 H 3 C CH 3 Ki = 58.0 nM 374.48 Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1C Homo sapiens CHEMBL2051552 cell-based format
CHEMBL2022244 OBDepict OH O O H 3 C CH 3 Ki = 59.0 nM 400.52 Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 Homo sapiens CHEMBL2027153 cell-based format
CHEMBL4783033 OBDepict H 3 C H O OH O N S CH 3 N Ki = 59.0 nM 512.68 CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4090240 OBDepict OH O H N H F F F O H 3 C CH 3 Ki = 60.0 nM 393.41 Cc1cccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c1C Homo sapiens CHEMBL4053224 cell-based format
CHEMBL4097527 OBDepict H 3 C H O HO O N N N O F F Ki = 60.0 nM 477.47 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL4075819 OBDepict CH 3 H O OH O N N N CH 3 CH 3 O S O O CH 3 Ki = 63.0 nM 575.69 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 Homo sapiens CHEMBL4027543 cell-based format
CHEMBL4783190 OBDepict OH O F O N Ki = 68.0 nM 471.57 O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4069764 OBDepict OH O H N H F F F H 3 C Ki = 73.0 nM 377.41 Cc1ccccc1Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 Homo sapiens CHEMBL4053224 cell-based format
CHEMBL4778264 OBDepict OH O H N O O N N N Ki = 79.0 nM 440.46 O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL2047154 OBDepict OH O O O CH 3 H 3 C O S O O Ki = 83.0 nM 536.65 Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 Homo sapiens CHEMBL2050357 cell-based format
CHEMBL2048612 OBDepict CH 3 O O CH 3 CH 3 F O OH Ki = 99.0 nM 408.47 COc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)cccc2C)c1 Homo sapiens CHEMBL2051552 cell-based format
CHEMBL4794233 OBDepict H 3 C H O OH O S CH 3 N N Ki = 100.0 nM 512.68 CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 Homo sapiens CHEMBL4766270 cell membrane format
CHEMBL4077366 OBDepict H 3 C O O N N N O H O OH CH 3 Ki = 102.0 nM 485.54 CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 Homo sapiens CHEMBL4027543 cell-based format