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Q9UKP6 | UR2R_HUMAN | Urotensin-2 receptor (UTS2R)

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
CHEMBL453587 OBDepict N N N O Cl CH 3 Cl N O NH 2 Ki = 0.3 nM 564.52 CN(C(=O)CN(CC#N)c1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1 Homo sapiens CHEMBL965358 single protein format
CHEMBL255509 OBDepict O N N N O O Cl Cl Ki = 0.4 nM 502.44 O=C1COc2cc(Cl)c(Cl)cc2N1CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL257171 OBDepict O N N N O O CH 3 CH 3 Ki = 0.4 nM 461.61 Cc1cc2c(cc1C)N(CC(=O)N1CCCC(c3ccccc3)C1CN1CCCC1)C(=O)CO2 Homo sapiens CHEMBL921644 cell-based format
CHEMBL256989 OBDepict O N N N O N Cl Cl Ki = 0.6 nM 499.44 O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL257415 OBDepict O N N N O N CH 3 CH 3 Ki = 1.0 nM 458.61 Cc1cc2ncc(=O)n(CC(=O)N3CCCC(c4ccccc4)C3CN3CCCC3)c2cc1C Homo sapiens CHEMBL921644 cell-based format
CHEMBL255462 OBDepict Cl N S O N O N Ki = 1.2 nM 470.04 O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL257767 OBDepict N N N O Cl Cl N Ki = 2.0 nM 485.46 N#CCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL402520 OBDepict O N N N O O Cl O Cl Ki = 2.0 nM 518.44 O=C1COc2cc(Cl)c(Cl)cc2N1CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL256988 OBDepict O N N N O N Cl O Cl Ki = 3.0 nM 515.44 O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL449192 OBDepict CH 3 N H O N H 3 C N O N O O O H 3 C H 3 C Ki = 3.0 nM 570.69 CC(=O)Nc1ccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN3C(=O)COc4cc(C)c(C)cc43)cc2)cc1 Homo sapiens CHEMBL965358 single protein format
CHEMBL453067 OBDepict H 3 C O N N O Cl CH 3 Cl N O NH 2 Ki = 3.0 nM 583.56 COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(-c2ccc(C(N)=O)cc2)cc1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL965358 single protein format
CHEMBL1164032 OBDepict OH S O O HO O NH N H N H 3 C N HO IC50 = 3.6 nM 516.62 Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1.O=S(=O)(O)O Homo sapiens CHEMBL1167042 single protein format
CHEMBL567713 OBDepict H 3 C N N N O H O N H O CH 3 S CH 3 O O S Ki = 4.0 nM 598.79 CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL495075 OBDepict Br O N HN H HN O Cl Cl Ki = 4.0 nM 527.29 O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL256721 OBDepict O N N N O N CH 3 O CH 3 Ki = 5.0 nM 474.61 Cc1cc2ncc(=O)n(CC(=O)N3CCCC(c4ccccc4)C3CN3CCOCC3)c2cc1C Homo sapiens CHEMBL921644 cell-based format
CHEMBL257150 OBDepict Cl N O O N O N Ki = 5.0 nM 453.97 O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL453329 OBDepict H 3 C O N CH 3 N O N O O O Cl Cl Ki = 5.0 nM 584.5 COc1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN3C(=O)COc4cc(Cl)c(Cl)cc43)cc2)c1 Homo sapiens CHEMBL965358 single protein format
CHEMBL1164032 OBDepict OH S O O HO O NH N H N H 3 C N HO Ki = 5.0 nM 516.62 Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1.O=S(=O)(O)O Homo sapiens CHEMBL1167042 single protein format
CHEMBL567303 OBDepict O NH N H N H 3 C N HO IC50 < 5.0 nM 418.54 Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 Homo sapiens CHEMBL2351683 cell-based format
CHEMBL522770 OBDepict H 3 C O O S H 3 C Br HN O O O F F F H N H 3 C Ki = 5.4 nM 539.37 COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCN(C)C3)c2)cc1OC Homo sapiens CHEMBL1003707 single protein format
CHEMBL482259 OBDepict O N H H Cl N Cl Br O H N H Ki = 5.5 nM 513.26 O=C(N[C@H]1CCN(Cc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL402303 OBDepict O N N H CH 3 N H Cl Cl Ki = 6.0 nM 460.45 CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL965358 single protein format
CHEMBL571216 OBDepict CH 3 O O H 3 C N H O N N S H 3 C O O S N CH 3 Ki < 6.0 nM 598.79 COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C)CC3)C2=O)cc1OC Homo sapiens CHEMBL1048828 cell-based format
CHEMBL258251 OBDepict N N N O Cl Cl N O Ki = 6.0 nM 501.46 N#CCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL255460 OBDepict Cl N S O N O N O Ki = 6.0 nM 486.04 O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL499582 OBDepict CH 3 HN O N H 3 C N O N O O N H 3 C H 3 C Ki = 6.0 nM 567.69 CNC(=O)c1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)Cn3c(=O)cnc4cc(C)c(C)cc43)cc2)c1 Homo sapiens CHEMBL965358 single protein format
CHEMBL4457118 OBDepict O N O N F F Cl O HN IC50 = 6.0 nM 515.99 O=C(c1ccc(-c2ccc(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL522770 OBDepict H 3 C O O S H 3 C Br HN O O O F F F H N H 3 C IC50 = 6.0 nM 539.37 COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCN(C)C3)c2)cc1OC Homo sapiens CHEMBL2351692 cell-based format
CHEMBL571625 OBDepict H 3 C N N N O H O N H O CH 3 CH 3 N N O H 3 C Ki = 8.0 nM 560.7 CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(OC)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL256937 OBDepict CH 3 O N N O Cl Cl N Ki = 8.0 nM 504.5 COCCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL4525919 OBDepict F O N O N Cl O HN IC50 = 9.0 nM 498.0 O=C(c1ccc(-c2cccc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL479994 OBDepict Br O N HN H NH O Cl Cl Ki = 10.0 nM 541.32 O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL578205 OBDepict H 3 C N N N O H O N H O CH 3 H 3 C O H 3 C N CH 3 N H Ki = 11.0 nM 574.73 CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2c(C)n[nH]c2C)c2ccc(OC)c(OC)c2)C3=O)CC1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL1164523 OBDepict H 3 C N CH 3 O N H HN O NH H H 3 C CH 3 O S Ki = 12.0 nM 536.74 CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 Homo sapiens CHEMBL1167042 single protein format
CHEMBL453074 OBDepict O N CH 3 N N O O Cl O Cl Ki = 13.0 nM 554.47 CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL965358 single protein format
CHEMBL488470 OBDepict CH 3 N N O Cl H 3 C Cl H N Ki = 13.0 nM 420.38 CN(CC(=O)N(C)[C@@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL965358 single protein format
CHEMBL3358687 OBDepict O N H NH S N N HO F IC50 = 13.0 nM 428.53 O=C(NCCN1CCC(O)(Cc2ccc(F)cc2)CC1)Nc1ccnc2ccsc12 Homo sapiens CHEMBL3382934 cell-based format
CHEMBL4463082 OBDepict H 3 C O N O N Cl O HN IC50 = 14.0 nM 508.06 CCc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4437224 OBDepict H 3 C O O N O N Cl O HN IC50 = 15.0 nM 510.03 COc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL521418 OBDepict Cl O N HN H NH O Cl Cl Ki = 15.0 nM 496.87 O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL527199 OBDepict CH 3 N N O Cl CH 3 Cl N Ki = 15.0 nM 420.38 CN(CC(=O)N(C)C(CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL965358 single protein format
CHEMBL4588098 OBDepict O N O N F F Cl O HN IC50 = 15.0 nM 515.99 O=C(c1ccc(-c2cccc(F)c2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4581735 OBDepict CH 3 O H 3 C O N O N Cl O HN IC50 = 15.0 nM 538.09 CC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4461733 OBDepict O N O N F F F Cl O HN IC50 = 15.0 nM 548.01 O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL453075 OBDepict O N CH 3 N H N O O Cl O Cl Ki = 16.0 nM 554.47 CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@@H](CN1CCOCC1)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL965358 single protein format
CHEMBL254356 OBDepict O N N CH 3 N Cl Cl Ki = 16.0 nM 460.45 CN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL4580364 OBDepict CH 3 O O N O N Cl O NH IC50 = 18.0 nM 524.06 CCOc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4546510 OBDepict O N O N CH 3 Cl O HN IC50 = 18.0 nM 494.04 Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL568123 OBDepict H 3 C N N N O H O N H O CH 3 CH 3 S Ki = 18.0 nM 548.75 CCN1CCN(c2cccc3c2CN([C@H](CCCNCc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL567075 OBDepict CH 3 N N N O H O N H O CH 3 CH 3 O S Ki = 18.0 nM 562.74 CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL4543925 OBDepict Cl O N O N Cl O HN IC50 = 20.0 nM 514.45 O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL3358682 OBDepict O N H HN S N N OH H 3 C IC50 = 20.0 nM 424.57 Cc1ccccc1CC1(O)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1 Homo sapiens CHEMBL3382934 cell-based format
CHEMBL3358685 OBDepict O N H NH S N N HO Br IC50 = 20.0 nM 489.44 O=C(NCCN1CCC(O)(Cc2ccccc2Br)CC1)Nc1ccnc2ccsc12 Homo sapiens CHEMBL3382934 cell-based format
CHEMBL488642 OBDepict O N CH 3 N H 3 C N Cl Cl Ki = 20.0 nM 496.48 CN(CC(=O)N(C)C(CN1CCCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL965358 single protein format
CHEMBL2348501 OBDepict CH 3 O O S CH 3 Br NH O O O Cl H N H 3 C IC50 = 23.0 nM 505.82 COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC Homo sapiens CHEMBL2351692 cell-based format
CHEMBL4449461 OBDepict O N O N Cl O HN IC50 = 24.0 nM 556.11 O=C(c1ccc(-c2cccc(-c3ccccc3)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4529337 OBDepict F F O N O N Cl O HN IC50 = 24.0 nM 515.99 O=C(c1ccc(-c2cc(F)ccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL3977330 OBDepict N S N H O N Br O HN IC50 = 25.0 nM 553.53 N#Cc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 Homo sapiens CHEMBL3859200 cell-based format
CHEMBL578207 OBDepict H 3 C N N N O H O N H O CH 3 S CH 3 O O N N H Ki = 25.0 nM 582.73 CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2c[nH]cn2)c2ccc(OC)c(OC)c2)C3=O)CC1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL4440805 OBDepict O N O N + N O _ O Cl O NH IC50 = 26.0 nM 525.01 O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL3358679 OBDepict O N H N H S N CH 3 N HO IC50 = 26.0 nM 424.57 Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1 Homo sapiens CHEMBL3382934 cell-based format
CHEMBL4560366 OBDepict F F O N O N Cl O HN IC50 = 27.0 nM 515.99 O=C(c1ccc(-c2ccc(F)cc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4565990 OBDepict CH 3 O O N O N Cl O HN IC50 = 27.0 nM 510.03 COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4555094 OBDepict O N O N + N O _ O Cl O HN IC50 = 31.0 nM 525.01 O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4578409 OBDepict O N O N Cl Cl O HN IC50 = 33.0 nM 514.45 O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL2348502 OBDepict CH 3 O O S CH 3 Br O O O Cl H N H 3 C IC50 = 34.0 nM 504.83 COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC Homo sapiens CHEMBL2351692 cell-based format
CHEMBL4457752 OBDepict H 3 C O O CH 3 O N O N Cl O NH IC50 = 34.0 nM 540.06 COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1OC Homo sapiens CHEMBL4332940 cell-based format
CHEMBL3358672 OBDepict O N H NH S N N HO IC50 = 36.0 nM 410.54 O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccsc12 Homo sapiens CHEMBL3382934 cell-based format
CHEMBL519629 OBDepict H 3 C O O N HN H NH O Cl Cl Ki = 36.0 nM 492.45 COc1cc(CCN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CCNCC1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL4472265 OBDepict O N O N F F F Cl O NH IC50 = 37.0 nM 533.98 O=C(c1ccc(-c2cc(F)c(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4462068 OBDepict O N O N Cl Cl Cl O HN IC50 = 38.0 nM 548.9 O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL404289 OBDepict Cl N O O N O N O Ki = 40.0 nM 469.97 O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 Homo sapiens CHEMBL921644 cell-based format
CHEMBL518301 OBDepict CH 3 N O Br N N H O Cl Cl Ki = 41.0 nM 527.29 CN1CCC(Oc2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL567303 OBDepict O NH N H N H 3 C N HO Ki = 41.0 nM 418.54 Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL3358686 OBDepict O N H NH S N N HO Br IC50 = 42.0 nM 489.44 O=C(NCCN1CCC(O)(Cc2cccc(Br)c2)CC1)Nc1ccnc2ccsc12 Homo sapiens CHEMBL3382934 cell-based format
CHEMBL480165 OBDepict O N H H Cl N Cl O NH Ki = 42.0 nM 462.42 O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)cc2)C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL4437489 OBDepict N O N O N Cl O HN IC50 = 43.0 nM 505.02 N#Cc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL516606 OBDepict O N H H Cl N Cl Br O H N H Ki = 44.0 nM 513.26 O=C(N[C@H]1CCN(Cc2ccc(O[C@H]3CCNC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL546011 OBDepict CH 3 N O Cl N H HN O Cl Cl Ki = 47.0 nM 482.84 CN1CCC(Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Cl)C1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL4450638 OBDepict O N O N Cl O HN IC50 = 48.0 nM 480.01 O=C(c1ccc(-c2ccccc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL4437619 OBDepict N O N O N Cl O HN IC50 = 48.0 nM 505.02 N#Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL3977271 OBDepict O HN S N + N O _ O Br O HN IC50 = 49.0 nM 573.51 O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 Homo sapiens CHEMBL3859200 cell-based format
CHEMBL565416 OBDepict CH 3 O O H 3 C N H O N N S H 3 C O O S N H Ki = 49.0 nM 584.76 COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC Homo sapiens CHEMBL1048828 cell-based format
CHEMBL3896625 OBDepict Cl S N H O N Br O HN IC50 = 51.0 nM 562.96 O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(Cl)ccc2s1 Homo sapiens CHEMBL3859200 cell-based format
CHEMBL3924660 OBDepict F S N H O N Br O HN IC50 = 53.0 nM 546.51 O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(F)ccc2s1 Homo sapiens CHEMBL3859200 cell-based format
CHEMBL567949 OBDepict H 3 C O O H 3 C N H O O HN N S O O S N CH 3 Ki = 59.0 nM 598.75 COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C)CC4)c3C2=O)cc1OC Homo sapiens CHEMBL1048828 cell-based format
CHEMBL4465326 OBDepict O N O N Cl O HN IC50 = 60.0 nM 556.11 O=C(c1ccc(-c2ccc(-c3ccccc3)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL3358680 OBDepict CH 3 N NH S N H O N HO IC50 = 60.0 nM 438.6 CCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1 Homo sapiens CHEMBL3382934 cell-based format
CHEMBL4483058 OBDepict F F O N O N Cl O NH IC50 = 61.0 nM 515.99 O=C(c1ccc(-c2cc(F)cc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL480775 OBDepict H 3 C N CH 3 O Br N H N H O Cl Cl Ki = 61.0 nM 529.31 CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br Homo sapiens CHEMBL1009481 cell-based format
CHEMBL566056 OBDepict H 3 C N N N O H O N H O CH 3 CH 3 N N Cl Ki = 62.0 nM 565.12 CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(Cl)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL481946 OBDepict F O N HN H NH O Cl Cl Ki = 62.0 nM 480.41 O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(F)c2)C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL3926450 OBDepict Br O N NH HN O S IC50 = 63.0 nM 528.52 O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccccc2s1 Homo sapiens CHEMBL3859200 cell-based format
CHEMBL566894 OBDepict H 3 C N N H N O H O O CH 3 CH 3 Ki = 64.0 nM 435.57 CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 Homo sapiens CHEMBL1048828 cell-based format
CHEMBL4524693 OBDepict Cl O N O N Cl O NH IC50 = 66.0 nM 514.45 O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL1163360 OBDepict CH 3 O O CH 3 N N H F N H O F CH 3 N IC50 = 67.0 nM 560.65 COc1cc2c(cc1OC)C(CCc1cc(F)ccc1F)N(CCNC(=O)Nc1cc(C)nc3ccccc13)CC2 Homo sapiens CHEMBL1167042 single protein format
CHEMBL4538387 OBDepict F O N O N Cl O NH IC50 = 68.0 nM 498.0 O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 Homo sapiens CHEMBL4332940 cell-based format
CHEMBL482114 OBDepict _ O + N O O N HN H NH O Cl Cl Ki = 69.0 nM 507.42 O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c([N+](=O)[O-])c2)C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1009481 cell-based format
CHEMBL3968841 OBDepict H 3 C S N H O N Br O NH IC50 = 74.0 nM 542.54 Cc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 Homo sapiens CHEMBL3859200 cell-based format
CHEMBL3358674 OBDepict O HN N H S N N CH 3 OH IC50 = 78.0 nM 424.57 Cc1cc2nccc(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)c2s1 Homo sapiens CHEMBL3382934 cell-based format