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P08908 | 5HT1A_HUMAN | 5-hydroxytryptamine receptor 1A (HTR1A)

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
CHEMBL1258761 OBDepict O N H O N N F Ki = 0.0141 nM 419.5 O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL1258533 OBDepict O N H O N N Ki = 0.0152 nM 401.51 O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL271987 OBDepict CH 3 O N N N H N Ki = 0.03 nM 404.56 COc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1 Homo sapiens CHEMBL950989 cell-based format
CHEMBL1258648 OBDepict F N N O O N H Ki = 0.0447 nM 419.5 O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL1257734 OBDepict O N H O N N O Ki = 0.0501 nM 407.51 O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL1258879 OBDepict O N H O N N F Ki = 0.0504 nM 433.53 O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL444590 OBDepict CH 3 O N N N Ki = 0.08 nM 365.52 COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 Homo sapiens CHEMBL615765 cell-based format
CHEMBL71920 OBDepict H 3 C N H H 3 C N H N Ki = 0.1 nM 295.43 CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1 Homo sapiens CHEMBL615442 tissue-based format
CHEMBL2413153 OBDepict F O N N N N O N CH 3 O Ki = 0.1 nM 405.47 Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O Homo sapiens CHEMBL2416751 single protein format
CHEMBL24523 OBDepict CH 3 N H H OH Ki = 0.1 nM 231.34 CCCN1CC[C@H]2c3c(O)cccc3CC[C@@H]21 Homo sapiens CHEMBL615459 tissue-based format
CHEMBL26998 OBDepict H 3 C N H H 3 C OH Ki = 0.1 nM 247.38 CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 Homo sapiens CHEMBL615578 tissue-based format
CHEMBL430332 OBDepict CH 3 N H H OH Ki = 0.1 nM 231.34 CCCN1CC[C@H]2c3c(O)cccc3CC[C@H]21 Homo sapiens CHEMBL615448 tissue-based format
CHEMBL210978 OBDepict F N H N H O F O NH 2 Ki = 0.1 nM 439.51 NC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2 Homo sapiens CHEMBL864775 cell-based format
CHEMBL1258426 OBDepict F N N O N H Ki = 0.102 nM 405.52 Fc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL1257856 OBDepict O N H O N N O Ki = 0.108 nM 407.51 O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4COCC5)CC3)cc21 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL439849 OBDepict N N H N N O O H 2 N IC50 = 0.11 nM 441.54 N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1 Homo sapiens CHEMBL4840631 single protein format
CHEMBL1258649 OBDepict F O N H O N N F Ki = 0.118 nM 451.52 O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL2105760 OBDepict H N O O N N S Ki = 0.12 nM 433.58 O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1 Homo sapiens CHEMBL4314362 cell-based format
CHEMBL352186 OBDepict H 3 C O F N H N Ki = 0.12 nM 262.33 COc1ccc2[nH]cc(CCN3CCCC3)c2c1F Homo sapiens CHEMBL615808 single protein format
CHEMBL1257969 OBDepict O N H F O N N Ki = 0.128 nM 419.5 O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL1258085 OBDepict O N H F O N N F Ki < 0.14 nM 437.49 O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(F)c21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL4864918 OBDepict N N H N N N O O IC50 = 0.14 nM 491.6 N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccc6occc6c5=O)cc4)CC3)c2c1 Homo sapiens CHEMBL4840631 single protein format
CHEMBL1258312 OBDepict N O N N H Ki = 0.149 nM 387.53 c1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL2413154 OBDepict CH 3 O N N N N O N H 3 C O Ki = 0.15 nM 373.46 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Homo sapiens CHEMBL2416751 single protein format
CHEMBL1258647 OBDepict O N H O N N Ki = 0.151 nM 415.54 O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL1257145 OBDepict O N H O N N F F Ki = 0.179 nM 437.49 O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL3331390 OBDepict H 3 C O N N N O O Ki = 0.19 nM 423.56 COc1ccccc1N1CCN(CCCCCCCn2c(=O)oc3ccccc32)CC1 Homo sapiens CHEMBL3367562 cell-based format
CHEMBL279207 OBDepict CH 2 N H H O CH 3 Ki = 0.2 nM 243.35 C=CCN1CC[C@H]2c3c(cccc3OC)CC[C@@H]21 Homo sapiens CHEMBL616375 tissue-based format
CHEMBL259686 OBDepict CH 3 O N NH N N O H 3 C Ki = 0.2 nM 406.53 COc1ccc2ccc(NCCCN3CCN(c4ccccc4OC)CC3)nc2c1 Homo sapiens CHEMBL950989 cell-based format
CHEMBL284585 OBDepict CH 3 N H H O CH 3 Ki = 0.2 nM 245.37 CCCN1CC[C@H]2c3c(cccc3OC)CC[C@H]21 Homo sapiens CHEMBL615448 tissue-based format
CHEMBL281819 OBDepict CH 3 N H H O CH 3 Ki = 0.2 nM 245.37 CCCN1CC[C@H]2c3c(cccc3OC)CC[C@@H]21 Homo sapiens CHEMBL615459 tissue-based format
CHEMBL411949 OBDepict CH 3 O N N H N N O H 3 C Ki = 0.2 nM 420.56 COc1ccc2nc(NCCCCN3CCN(c4ccccc4OC)CC3)ccc2c1 Homo sapiens CHEMBL950989 cell-based format
CHEMBL64878 OBDepict CH 3 O N N S N HO IC50 = 0.2 nM 397.54 COc1ccccc1N1CCN(CCCCc2ccc3nc(O)sc3c2)CC1 Homo sapiens CHEMBL615581 assay format
CHEMBL2112778 OBDepict CH 3 O N N N Ki = 0.2 nM 351.49 COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 Homo sapiens CHEMBL615766 assay format
CHEMBL3330616 OBDepict F N N N N N O N CH 3 O Ki = 0.2 nM 362.41 Cn1c(=O)cnn(CCCCN2CCN(c3cccc(F)n3)CC2)c1=O Homo sapiens CHEMBL3387900 single protein format
CHEMBL318374 OBDepict CH 3 O O N H O O N H Ki = 0.2 nM 380.44 COC(=O)c1cc2c3c(ccc2[nH]1)OCC(CNCCCc1ccccc1)O3 Homo sapiens CHEMBL616373 cell-based format
CHEMBL1744088 OBDepict CH 3 N H N N H O O N CH 3 CH 3 Ki = 0.2 nM 448.61 CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1 Homo sapiens CHEMBL615442 tissue-based format
CHEMBL3982486 OBDepict H 3 C O NH O H H N N N S Ki = 0.2 nM 416.59 CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872757 cell-based format
CHEMBL4591601 OBDepict H 3 C O O CH 3 N H O N O N N Cl Cl Ki = 0.2 nM 533.46 COc1ccc(/C=C2NC(=O)N(CCCCN3CCN(c4cccc(Cl)c4Cl)CC3)C2=O)cc1OC Homo sapiens CHEMBL4343018 cell-based format
CHEMBL60447 OBDepict OH N N S N CH 3 O IC50 = 0.2 nM 369.49 Cn1c(=O)sc2cc(CCN3CCN(c4ccccc4O)CC3)ccc21 Homo sapiens CHEMBL615581 assay format
CHEMBL304438 OBDepict CH 3 O N N O N CH 3 O IC50 = 0.2 nM 381.48 COc1ccccc1N1CCN(CCc2ccc3c(c2)OCC(=O)N3C)CC1 Homo sapiens CHEMBL615581 assay format
CHEMBL1258425 OBDepict O N N N H Ki = 0.204 nM 401.55 c1ccc2c(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)cccc2c1 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL1258200 OBDepict F N N O F O N H Ki < 0.205 nM 437.49 O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)c(F)c21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL3331391 OBDepict H 3 C O N N N O S Ki = 0.21 nM 439.63 COc1ccccc1N1CCN(CCCCCCCn2c(=O)sc3ccccc32)CC1 Homo sapiens CHEMBL3367562 cell-based format
CHEMBL2112779 OBDepict CH 3 O N N O H 3 C Ki = 0.21 nM 380.53 COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 Homo sapiens CHEMBL615766 assay format
CHEMBL4083252 OBDepict H 3 C O N N S N N N H 3 C Ki = 0.22 nM 423.59 COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 Homo sapiens CHEMBL4032443 cell-based format
CHEMBL344432 OBDepict CH 3 O N H O N Ki = 0.23 nM 340.47 COc1cccc2c1CCCC2CCCNCCOc1ccccn1 Homo sapiens CHEMBL615766 assay format
CHEMBL142862 OBDepict CH 3 O F N H N CH 3 H 3 C Ki = 0.23 nM 236.29 COc1ccc2[nH]cc(CCN(C)C)c2c1F Homo sapiens CHEMBL615808 single protein format
CHEMBL1258532 OBDepict F N N O N H Ki = 0.243 nM 419.54 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)c2c1 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL514874 OBDepict CH 3 O N N N O N ClH Ki = 0.25 nM 459.03 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1.Cl Homo sapiens CHEMBL2167566 cell-based format
CHEMBL1257613 OBDepict O N H O N N Ki = 0.269 nM 405.54 O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL3656914 OBDepict Br HO N O O Ki = 0.27 nM 442.35 O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc12 Homo sapiens CHEMBL3705936 assay format
CHEMBL3331389 OBDepict O S N N N Ki = 0.27 nM 409.6 O=c1sc2ccccc2n1CCCCCCCN1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL3367562 cell-based format
CHEMBL1257857 OBDepict O N H O N N O Ki = 0.279 nM 421.54 O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4COCC5)CC3)cc21 Homo sapiens CHEMBL1260560 cell-based format
CHEMBL4276705 OBDepict O O H 3 C O CH 3 O CH 3 N N F Ki = 0.3 nM 452.53 CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCN(c2ccccc2F)CC1 Homo sapiens CHEMBL4263061 cell-based format
CHEMBL287134 OBDepict CH 2 N H H OH Ki = 0.3 nM 229.32 C=CCN1CC[C@H]2c3c(O)cccc3CC[C@H]21 Homo sapiens CHEMBL615450 cell-based format
CHEMBL285774 OBDepict H 2 C N H H HO Ki = 0.3 nM 215.3 C=CCN1C[C@H]2c3c(O)cccc3CC[C@H]21 Homo sapiens CHEMBL615459 tissue-based format
CHEMBL320880 OBDepict O N H N N O O N H O H 2 N Ki = 0.3 nM 461.52 NC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3 Homo sapiens CHEMBL616373 cell-based format
CHEMBL439849 OBDepict N N H N N O O H 2 N Ki = 0.3 nM 441.54 N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1 Homo sapiens CHEMBL2037806 single protein format
CHEMBL4279872 OBDepict N N N O O CH 3 CH 3 CH 3 O O Ki = 0.3 nM 459.55 CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCN(c2ccccc2C#N)CC1 Homo sapiens CHEMBL4263061 cell-based format
CHEMBL60885 OBDepict CH 3 O N N S N OH IC50 = 0.3 nM 369.49 COc1ccccc1N1CCN(CCc2ccc3nc(O)sc3c2)CC1 Homo sapiens CHEMBL615581 assay format
CHEMBL1257146 OBDepict O N H Cl O N N F Ki = 0.312 nM 453.95 O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL435279 OBDepict H 3 C O O O H N H H HO F F F Ki = 0.33 nM 449.47 COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1cccc(C(F)(F)F)c1)C3)CO2 Homo sapiens CHEMBL615756 cell-based format
CHEMBL423361 OBDepict O N N N N OH Ki = 0.33 nM 408.55 O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1 Homo sapiens CHEMBL1776882 cell-based format
CHEMBL18840 OBDepict NH 2 N H O H 2 N Ki = 0.34 nM 203.25 NCCc1c[nH]c2ccc(C(N)=O)cc12 Homo sapiens CHEMBL4368223 cell-based format
CHEMBL298595 OBDepict O N O N N Cl Ki = 0.34 nM 403.95 O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 Homo sapiens CHEMBL615772 single protein format
CHEMBL4572955 OBDepict O HN N N Ki = 0.34 nM 337.47 O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1 Homo sapiens CHEMBL4427023 cell-based format
CHEMBL1258650 OBDepict F N N O F O N H Ki = 0.341 nM 437.49 O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL3958278 OBDepict CH 3 O Br N O O Ki = 0.36 nM 446.39 COc1ccc(Br)c(CC2CCN(CCc3ccc4c(c3)OCCO4)CC2)c1 Homo sapiens CHEMBL3871864 cell-based format
CHEMBL410515 OBDepict CH 3 O N N N H N H 2 N Ki = 0.38 nM 405.55 COc1ccccc1N1CCN(CCCCNc2ccc3cc(N)ccc3n2)CC1 Homo sapiens CHEMBL950989 cell-based format
CHEMBL157138 OBDepict H 3 C N N H O H 3 C H N CH 3 H N H Ki = 0.4 nM 338.46 CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL616370 single protein format
CHEMBL1744035 OBDepict H 3 C N H H 3 C N H N Ki = 0.4 nM 295.43 CCCN(CCC)[C@H]1CCc2ccc3[nH]c(C#N)cc3c2C1 Homo sapiens CHEMBL615442 tissue-based format
CHEMBL317433 OBDepict O N H N N O O N H Ki = 0.4 nM 418.5 O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccc4[nH]ccc4c3O1)CC2 Homo sapiens CHEMBL616373 cell-based format
CHEMBL1094872 OBDepict CH 3 O N N N N N Ki = 0.4 nM 453.59 COc1cc(N2CCN(C3CCN(c4cccc5cccnc45)CC3)CC2)c2ncccc2c1 Homo sapiens CHEMBL1110095 cell-based format
CHEMBL4280137 OBDepict CH 3 O N N O O CH 3 CH 3 CH 3 O O Ki = 0.4 nM 464.56 COc1cccc(N2CCN(CCCOc3c(C(C)=O)c(C)cc4oc(=O)cc(C)c34)CC2)c1 Homo sapiens CHEMBL4263061 cell-based format
CHEMBL1096476 OBDepict CH 3 O N N N N N F Ki = 0.4 nM 471.58 COc1cc(N2CCN(C3CCN(c4ccc(F)c5cccnc45)CC3)CC2)c2ncccc2c1 Homo sapiens CHEMBL1110095 cell-based format
CHEMBL4287105 OBDepict O O H 3 C O CH 3 O CH 3 N N Cl Cl Ki = 0.4 nM 503.43 CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCN(c2cccc(Cl)c2Cl)CC1 Homo sapiens CHEMBL4263061 cell-based format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.43 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121498 single protein format
CHEMBL3331387 OBDepict CH 3 O N N N O S Ki = 0.43 nM 425.6 COc1ccccc1N1CCN(CCCCCCn2c(=O)sc3ccccc32)CC1 Homo sapiens CHEMBL3367562 cell-based format
CHEMBL3330623 OBDepict HO N N N N O N H 3 C O Ki = 0.44 nM 409.49 Cn1c(=O)cnn(CCCCN2CCN(c3cccc4ccc(O)cc34)CC2)c1=O Homo sapiens CHEMBL3387900 single protein format
CHEMBL343755 OBDepict CH 3 N H N O N H H 3 C H CH 3 H Ki = 0.45 nM 335.45 C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 Homo sapiens CHEMBL615775 single protein format
CHEMBL1094556 OBDepict CH 3 O N N N N N H 3 C Ki = 0.46 nM 467.62 COc1cc(N2CCN(C3CCN(c4cccc5cc(C)cnc45)CC3)CC2)c2ncccc2c1 Homo sapiens CHEMBL1110095 cell-based format
CHEMBL3329234 OBDepict CH 3 S N N N N O N H 3 C O Ki = 0.46 nM 389.53 CSc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Homo sapiens CHEMBL3387900 single protein format
CHEMBL574667 OBDepict CH 3 O N N N O O N CH 3 H 3 C Ki = 0.47 nM 422.53 COc1ccccc1N1CCN(CCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1 Homo sapiens CHEMBL1046676 cell-based format
CHEMBL1098134 OBDepict CH 3 O N N N N N F F Ki = 0.47 nM 489.57 COc1cc(N2CCN(C3CCN(c4ccc(F)c5cc(F)cnc45)CC3)CC2)c2ncccc2c1 Homo sapiens CHEMBL1110095 cell-based format
CHEMBL1774997 OBDepict O N N I N N HO Ki = 0.47 nM 546.45 O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CCC(I)(CC1)C2 Homo sapiens CHEMBL1776882 cell-based format
CHEMBL4218720 OBDepict O O H 3 C O CH 3 O N N Br Ki = 0.5 nM 499.41 CC(=O)c1c(OCCCN2CCN(c3ccccc3Br)CC2)ccc2c(C)cc(=O)oc12 Homo sapiens CHEMBL4186928 cell-based format
CHEMBL4867414 OBDepict N N H N N N O N IC50 = 0.5 nM 502.62 N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccc6ncccc6c5=O)cc4)CC3)c2c1 Homo sapiens CHEMBL4840631 single protein format
CHEMBL101535 OBDepict N N H O O N N O N H Ki = 0.5 nM 443.51 N#Cc1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3 Homo sapiens CHEMBL616373 cell-based format
CHEMBL591189 OBDepict CH 3 O N N N O O N CH 3 H 3 C Ki = 0.5 nM 436.56 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1 Homo sapiens CHEMBL1046676 cell-based format
CHEMBL347700 OBDepict H 3 C HN H H CH 2 OH Ki = 0.5 nM 245.37 C=CC[C@H]1c2c(O)cccc2CC[C@H]1NCCC Homo sapiens CHEMBL615458 organism-based format
CHEMBL261383 OBDepict CH 3 O N NH N N O H 3 C Ki = 0.5 nM 434.58 COc1ccc2ccc(NCCCCCN3CCN(c4ccccc4OC)CC3)nc2c1 Homo sapiens CHEMBL950989 cell-based format
CHEMBL2029930 OBDepict O NH N H N N N Ki = 0.5 nM 401.51 O=C(Nc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1 Homo sapiens CHEMBL2032827 cell-based format
CHEMBL2164354 OBDepict O N N N Ki = 0.51 nM 389.54 O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 Homo sapiens CHEMBL2167566 cell-based format
CHEMBL38413 OBDepict H 3 C O N N N O N F Ki = 0.515 nM 440.56 COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 Homo sapiens CHEMBL616302 assay format
CHEMBL1258086 OBDepict F N N O CH 3 O N H Ki = 0.517 nM 433.53 Cc1cc2c(cc1OCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL3938210 OBDepict O N H N H H H N N N S Ki = 0.52 nM 437.61 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccc[nH]1 Homo sapiens CHEMBL3872757 cell-based format
CHEMBL1258535 OBDepict F O NH O N N F Ki < 0.521 nM 437.49 O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21 Homo sapiens CHEMBL1260561 cell-based format
CHEMBL4291322 OBDepict F N H N N Ki = 0.53 nM 399.51 Fc1ccc2[nH]cc(CCN3CCN(c4ccccc4-c4ccccc4)CC3)c2c1 Homo sapiens CHEMBL4254545 cell-based format
CHEMBL261600 OBDepict CH 3 O N N N H N H 3 C Ki = 0.54 nM 404.56 COc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1 Homo sapiens CHEMBL950989 cell-based format