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P28222 | 5HT1B_HUMAN | 5-hydroxytryptamine receptor 1B (HTR1B)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

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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
CHEMBL463249 OBDepict Br N H N CH 3 O N HN H 3 C Ki = 0.0 nM 333.19 CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O Homo sapiens CHEMBL2445950 cell-based format
CHEMBL144030 OBDepict H 2 N N H O O N H H 2 N Ki = 0.1 nM 454.57 NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Homo sapiens CHEMBL965237 cell-based format
CHEMBL339308 OBDepict CH 3 O N HN N O CH 3 CH 3 NH N O H 3 C Ki = 0.14 nM 499.62 COc1ccc(NC(=O)c2ccc(-c3ccc(C4=NC(C)ON4)cc3C)cc2)cc1N1CCN(C)CC1 Homo sapiens CHEMBL616431 cell-based format
CHEMBL15928 OBDepict CH 3 O N HN N O CH 3 CH 3 N N O H 3 C Ki = 0.14 nM 497.6 COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1 Homo sapiens CHEMBL616433 single protein format
CHEMBL194837 OBDepict H 3 C N CH 3 O N CH 3 N H O O Cl Cl IC50 = 0.2 nM 448.35 Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 Homo sapiens CHEMBL881488 single protein format
CHEMBL2112662 OBDepict CH 3 N N O N O N CH 3 Ki = 0.2 nM 472.63 Cc1ccccc1CN1CCN(C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)CC1 Homo sapiens CHEMBL616431 cell-based format
CHEMBL344127 OBDepict CH 3 O HN O N H N CH 3 H 3 C Ki = 0.2 nM 377.49 COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 Homo sapiens CHEMBL616866 cell-based format
CHEMBL340786 OBDepict H 3 C N N O N O N CH 3 Ki = 0.3 nM 458.61 Cc1ccccc1N1CCN(C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)CC1 Homo sapiens CHEMBL616431 cell-based format
CHEMBL762 OBDepict CH 3 CH 3 OH H 3 C H 3 C CH 3 N H N Ki = 0.3 nM 260.38 Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 Homo sapiens CHEMBL616535 single protein format
CHEMBL2112660 OBDepict N N N O O N N H 3 C Ki = 0.38 nM 469.59 CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5ccccc5C#N)CC4)cc23)CC1 Homo sapiens CHEMBL616431 cell-based format
CHEMBL2112661 OBDepict H 3 C N N O N O N Ki = 0.43 nM 494.64 CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6ccccc56)CC4)cc23)CC1 Homo sapiens CHEMBL616431 cell-based format
CHEMBL605785 OBDepict CH 3 O N O N H O O O F H 3 C N CH 3 N CH 3 Ki = 0.43 nM 506.53 COC1(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(-c5c(C)nn(C)c5C)c4o3)cn2)CCOCC1 Homo sapiens CHEMBL1070285 cell-based format
CHEMBL129813 OBDepict CH 3 N N O N O N O O Ki = 0.43 nM 502.62 CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6c5OCCO6)CC4)cc23)CC1 Homo sapiens CHEMBL616431 cell-based format
CHEMBL338015 OBDepict CH 3 O O N H 3 C N O O N N H 3 C Ki = 0.44 nM 504.63 COc1cccc(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c1OC Homo sapiens CHEMBL616431 cell-based format
CHEMBL325359 OBDepict HO O O OH CH 3 O N N H N N O CH 3 N Ki = 0.5 nM 579.7 COc1ccc(NC(=O)N2CCN(c3cccc4c3CCCC4)CC2)cc1N1CCN(C)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL616433 single protein format
CHEMBL159396 OBDepict H N N N N N N N N IC50 = 0.5 nM 388.48 c1cnc(N2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)nc1 Homo sapiens CHEMBL616642 cell-based format
CHEMBL31217 OBDepict NH 2 N H O O N N CH 3 Ki = 0.76 nM 444.58 CN1CCN(c2cccc3ccc(OCCOc4ccc5[nH]cc(CCN)c5c4)cc23)CC1 Homo sapiens CHEMBL616530 single protein format
CHEMBL444404 OBDepict H 3 C N N H HN O NH O N H N CH 3 Ki = 0.76 nM 554.74 CN1CCC(c2c[nH]c3ccc(NC(=O)CCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1 Homo sapiens CHEMBL965237 cell-based format
CHEMBL321818 OBDepict OH O O OH H 2 N N H O N O N CH 3 Ki = 0.8 nM 508.58 Cc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL616433 single protein format
CHEMBL224195 OBDepict CH 3 O N N O H N H 3 C N H O N O Ki = 0.9 nM 491.59 COc1cc(N2CCCN(C)CC2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 Homo sapiens CHEMBL915028 cell-based format
CHEMBL601013 OBDepict CH 3 O N O N H O O F H 3 C N CH 3 N CH 3 Ki = 0.96 nM 494.57 COC1(c2ccc(NC(=O)C3CCc4cc(F)cc(-c5c(C)nn(C)c5C)c4O3)cn2)CCOCC1 Homo sapiens CHEMBL1070285 cell-based format
CHEMBL392586 OBDepict CH 3 N N O N N O Cl Ki < 1.0 nM 434.93 CN1CCN(c2cccc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc23)CC1 Homo sapiens CHEMBL903407 cell-based format
CHEMBL320079 OBDepict CH 3 O N H H 2 N Ki = 1.0 nM 274.41 CCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL321190 OBDepict CH 3 O O N H N CH 3 H 3 C Ki = 1.1 nM 344.5 CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL97450 OBDepict CH 3 O N H H 2 N Ki = 1.2 nM 302.46 CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL616864 cell-based format
CHEMBL111302 OBDepict HO O O OH CH 3 O N N H N N O CH 3 N CH 3 CH 3 Ki = 1.3 nM 553.66 COc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1N1CCN(C)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL616433 single protein format
CHEMBL448902 OBDepict H 3 C N N H NH O NH O N H N CH 3 Ki = 1.3 nM 596.82 CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1 Homo sapiens CHEMBL965237 cell-based format
CHEMBL296161 OBDepict CH 3 N H 3 C N H N N N IC50 = 1.3 nM 255.32 CN(C)CCc1c[nH]c2ccc(-n3cnnc3)cc12 Homo sapiens CHEMBL616642 cell-based format
CHEMBL128699 OBDepict H 3 C N N O N O N CH 3 CH 3 H 3 C Ki = 1.4 nM 486.66 Cc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c(C)c1 Homo sapiens CHEMBL616431 cell-based format
CHEMBL113950 OBDepict CH 3 N H N H N N SH CH 3 Ki = 1.5 nM 444.65 Cc1ccc(/N=C(S)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1 Homo sapiens CHEMBL616534 single protein format
CHEMBL115663 OBDepict CH 3 N H N H N N SH Cl Ki = 1.5 nM 465.07 CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(/C(S)=N/c4ccc(Cl)cc4)CC3)cc12 Homo sapiens CHEMBL616534 single protein format
CHEMBL111376 OBDepict CH 3 O N H H 2 N Ki = 1.6 nM 246.35 CCCCCOc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL602674 OBDepict CH 3 N O N N H O O O N F N CH 3 Ki = 1.7 nM 521.59 CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(N5CCN(C)CC5)c4o3)cc2)CC1 Homo sapiens CHEMBL1070285 cell-based format
CHEMBL323986 OBDepict OH O O OH CH 3 O N N H N N O CH 3 N CH 3 H 3 C Ki = 1.8 nM 553.66 COc1ccc(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1N1CCN(C)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL616433 single protein format
CHEMBL372453 OBDepict CH 3 O N N H N N O CH 3 N Cl Ki = 1.82 nM 443.98 COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1 Homo sapiens CHEMBL884811 single protein format
CHEMBL357034 OBDepict H 3 C N H N H CH 3 CH 3 CH 3 Ki = 1.9 nM 230.35 CNCCc1c[nH]c2ccc(C(C)(C)C)cc12 Homo sapiens CHEMBL616430 single protein format
CHEMBL129661 OBDepict CH 3 O N HN Ki = 2.0 nM 242.32 COc1ccc2ccc(N3CCNCC3)cc2c1 Homo sapiens CHEMBL616431 cell-based format
CHEMBL430500 OBDepict OH O O OH CH 3 O N N H N N O CH 3 N O CH 3 Ki = 2.0 nM 555.63 COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL616433 single protein format
CHEMBL107617 OBDepict NH 2 N H O H 3 C H 3 C CH 3 Ki = 2.0 nM 330.52 CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL442 OBDepict H N H N CH 3 H HN O CH 3 O O N OH H N H O Ki = 2.1 nM 581.67 CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21 Homo sapiens CHEMBL1912148 cell-based format
CHEMBL30831 OBDepict CH 3 N N O O N N CH 3 Ki = 2.1 nM 510.68 CN1CCN(c2cccc3ccc(OCCOc4ccc5cccc(N6CCN(C)CC6)c5c4)cc23)CC1 Homo sapiens CHEMBL616530 single protein format
CHEMBL111150 OBDepict H 2 N N H O CH 3 H 3 C CH 3 Ki = 2.3 nM 316.49 CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL105970 OBDepict HO O O HO CH 3 O N N H N N O CH 3 N CH 3 Ki = 2.3 nM 539.63 COc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1N1CCN(C)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL616433 single protein format
CHEMBL161176 OBDepict CH 3 N H O N N N H N N N IC50 = 2.4 nM 457.58 CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1 Homo sapiens CHEMBL616642 cell-based format
CHEMBL113994 OBDepict CH 3 O N H N S N H H N CH 3 Ki = 2.4 nM 460.65 COc1ccc(NC(=S)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1 Homo sapiens CHEMBL616534 single protein format
CHEMBL348304 OBDepict H N N N H N N O IC50 = 2.7 nM 401.51 c1ccc(COC[C@@H]2CCCN2CCc2c[nH]c3ccc(-n4cnnc4)cc23)cc1 Homo sapiens CHEMBL616641 cell-based format
CHEMBL97184 OBDepict F N N N N H 3 C N N O NH Ki = 2.8 nM 487.58 Cn1nncc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 Homo sapiens CHEMBL616962 cell-based format
CHEMBL326667 OBDepict CH 3 O N H H 2 N Ki = 3.0 nM 288.43 CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL114571 OBDepict CH 3 N H N H N HN O CH 3 Ki = 3.0 nM 428.58 Cc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1 Homo sapiens CHEMBL616534 single protein format
CHEMBL65824 OBDepict F F N N H N N N IC50 = 3.1 nM 435.52 Fc1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 Homo sapiens CHEMBL616643 cell-based format
CHEMBL117397 OBDepict CH 3 N H N H N N SH Ki = 3.2 nM 480.68 CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(/C(S)=N/c4cccc5ccccc45)CC3)cc12 Homo sapiens CHEMBL616534 single protein format
CHEMBL105369 OBDepict CH 3 N N N H N H HN O F Ki = 3.2 nM 367.43 CN1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)nc23)CC1 Homo sapiens CHEMBL616540 assay format
CHEMBL1278 OBDepict H 3 C N H S O O N H N CH 3 Ki = 3.3 nM 335.47 CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 Homo sapiens CHEMBL616430 single protein format
CHEMBL358072 OBDepict H N N N N N N H N IC50 = 3.3 nM 415.55 c1ccc(NCC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)nc1 Homo sapiens CHEMBL616639 cell-based format
CHEMBL224399 OBDepict CH 3 O N N O H N CH 3 N H O N O Ki = 3.5 nM 477.57 COc1cc(N2CCN(C)CC2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 Homo sapiens CHEMBL915028 cell-based format
CHEMBL8165 OBDepict H 2 N N H O CH 3 Ki = 3.5 nM 190.25 COc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL113893 OBDepict CH 3 N H N H N N H O Ki = 3.8 nM 464.61 CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4cccc5ccccc45)CC3)cc12 Homo sapiens CHEMBL616534 single protein format
CHEMBL114780 OBDepict CH 3 N H N H N N H O Cl Ki = 3.8 nM 449.0 CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc12 Homo sapiens CHEMBL616534 single protein format
CHEMBL39 OBDepict H 2 N N H OH Ki = 4.0 nM 176.22 NCCc1c[nH]c2ccc(O)cc12 Homo sapiens CHEMBL616864 cell-based format
CHEMBL1185 OBDepict CH 3 N CH 3 N H H NH O O Ki = 4.2 nM 287.36 CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 Homo sapiens CHEMBL616429 single protein format
CHEMBL431866 OBDepict CH 3 O N H N O N H H N CH 3 Ki = 4.2 nM 444.58 COc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1 Homo sapiens CHEMBL616534 single protein format
CHEMBL97650 OBDepict F N N N N N O HN Ki = 4.2 nM 484.58 O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 Homo sapiens CHEMBL616962 cell-based format
CHEMBL606556 OBDepict CH 3 N H N H HN S O O Cl Ki = 4.3 nM 403.94 CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12 Homo sapiens CHEMBL829044 cell-based format
CHEMBL161045 OBDepict H N N N N N IC50 = 4.4 nM 267.34 c1cc2[nH]cc(CCN3CCC3)c2cc1-n1cnnc1 Homo sapiens CHEMBL616641 cell-based format
CHEMBL109526 OBDepict CH 3 O N H H 2 N Ki = 4.6 nM 218.3 CCCOc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL325175 OBDepict CH 3 N H N H N N H O Ki = 4.8 nM 414.55 CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccccc4)CC3)cc12 Homo sapiens CHEMBL616534 single protein format
CHEMBL39 OBDepict H 2 N N H OH IC50 = 5.0 nM 176.22 NCCc1c[nH]c2ccc(O)cc12 Homo sapiens CHEMBL616807 single protein format
CHEMBL65765 OBDepict F F N N H N N N IC50 = 5.3 nM 435.52 Fc1cccc(CC2(F)CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1 Homo sapiens CHEMBL616643 cell-based format
CHEMBL50492 OBDepict CH 3 N H N CH 3 H 3 C Ki = 5.5 nM 216.33 CCc1ccc2[nH]cc(CCN(C)C)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL334259 OBDepict CH 3 N H N H N N SH Ki = 5.8 nM 430.62 CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(/C(S)=N/c4ccccc4)CC3)cc12 Homo sapiens CHEMBL616534 single protein format
CHEMBL328048 OBDepict F N N N H 3 C N N O NH Ki = 5.9 nM 486.6 Cn1nccc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 Homo sapiens CHEMBL616962 cell-based format
CHEMBL147148 OBDepict O N N H H 3 C N N H N N N IC50 = 6.2 nM 471.61 CN(CC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL616639 cell-based format
CHEMBL29951 OBDepict CH 3 N CH 3 O O N CH 3 CH 3 Ki = 6.4 nM 576.91 CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4c3CC(N(CCC)CCC)CC4)c2C1 Homo sapiens CHEMBL616530 single protein format
CHEMBL125745 OBDepict H 2 N N S O O Ki = 6.5 nM 300.38 NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1 Homo sapiens CHEMBL616525 cell-based format
CHEMBL98299 OBDepict F N N N N H 3 C N N O NH Ki = 6.5 nM 487.58 Cn1ncnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 Homo sapiens CHEMBL616962 cell-based format
CHEMBL3326993 OBDepict CH 3 O N N HN O Cl Ki = 7.0 nM 506.09 COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1 Homo sapiens CHEMBL3366227 single protein format
CHEMBL162930 OBDepict H N N N N N O IC50 = 7.4 nM 311.39 c1cc2[nH]cc(CCCN3CCOCC3)c2cc1-n1cnnc1 Homo sapiens CHEMBL616642 cell-based format
CHEMBL110317 OBDepict H 2 N N H O CH 3 Ki = 7.4 nM 202.26 CC(=O)c1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL128 OBDepict CH 3 HN S O O N H N CH 3 H 3 C Ki = 7.7 nM 295.41 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Homo sapiens CHEMBL616534 single protein format
CHEMBL107511 OBDepict H 2 N N H CH 3 Ki = 7.8 nM 188.27 CCc1ccc2[nH]cc(CCN)c2c1 Homo sapiens CHEMBL617320 single protein format
CHEMBL108722 OBDepict OH O O OH CH 3 O N N H N N O H 3 C N O CH 3 Ki = 8.0 nM 555.63 COc1cccc(N2CCN(C(=O)Nc3ccc(OC)c(N4CCN(C)CC4)c3)CC2)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL616433 single protein format
CHEMBL108645 OBDepict HO O O HO CH 3 O N N H N N O H 3 C N O CH 3 Ki = 8.4 nM 555.63 COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(N4CCN(C)CC4)c3)CC2)cc1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL616433 single protein format
CHEMBL147940 OBDepict CH 3 N H O N H N N H N N N IC50 = 8.9 nM 485.64 CC(=O)Nc1ccc(CNCC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 Homo sapiens CHEMBL616639 cell-based format
CHEMBL146338 OBDepict CH 3 N H O N H H 3 C H N N H N N N IC50 = 8.9 nM 499.66 CC(=O)Nc1ccc([C@@H](C)NCC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 Homo sapiens CHEMBL616639 cell-based format
CHEMBL146483 OBDepict CH 3 N H O N H H 3 C H N N H N N N IC50 = 9.3 nM 499.66 CC(=O)Nc1ccc([C@H](C)NCC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 Homo sapiens CHEMBL616639 cell-based format
CHEMBL225363 OBDepict H 3 C N N N F H O N H O N O Ki = 9.3 nM 465.53 CN1CCN(c2cc(F)cc3c(=O)cc(C(=O)Nc4ccc(N5CCOCC5)cc4)[nH]c23)CC1 Homo sapiens CHEMBL915028 cell-based format
CHEMBL2113386 OBDepict I S HN O O N H H N H Ki = 9.3 nM 495.39 O=S(=O)(Cc1ccccc1I)Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1 Homo sapiens CHEMBL829044 cell-based format
CHEMBL601012 OBDepict H 3 C N N H CH 3 N H CH 3 O N H O N O Ki = 9.3 nM 457.53 Cc1n[nH]c(C)c1-c1ccc(C)c2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c12 Homo sapiens CHEMBL1070285 cell-based format
CHEMBL163386 OBDepict HO N N N H N N N IC50 = 9.5 nM 430.56 OCC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 Homo sapiens CHEMBL616642 cell-based format
CHEMBL195927 OBDepict CH 3 O N N H N O CH 3 N O H 3 C Ki = 9.68 nM 438.57 COc1ccccc1N1CCC(C(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2)CC1 Homo sapiens CHEMBL884811 single protein format
CHEMBL369798 OBDepict CH 3 O H N N H S Ki = 9.9 nM 340.49 COC[C@@H]1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12 Homo sapiens CHEMBL616434 single protein format
CHEMBL357634 OBDepict H N N N N N N S H 3 C O O IC50 = 10.0 nM 478.62 CN(C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)S(=O)(=O)c1ccccc1 Homo sapiens CHEMBL616639 cell-based format
CHEMBL281350 OBDepict CH 3 N O N O CH 3 N N O H 3 C Ki = 10.0 nM 520.63 Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1 Homo sapiens CHEMBL616433 single protein format
CHEMBL111316 OBDepict NH 2 N H O H 2 N Ki = 10.0 nM 229.28 NC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3 Homo sapiens CHEMBL617321 single protein format
CHEMBL905 OBDepict CH 3 N CH 3 N H N N N Ki = 10.1 nM 269.35 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Homo sapiens CHEMBL616430 single protein format
CHEMBL1279 OBDepict H N H HN CH 3 O NH 2 Ki = 10.3 nM 243.31 CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1 Homo sapiens CHEMBL616430 single protein format
CHEMBL44054 OBDepict CH 3 N H N H H 3 C CH 3 Ki = 10.4 nM 256.39 CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 Homo sapiens CHEMBL616432 single protein format
CHEMBL277120 OBDepict HN N Ki = 10.6 nM 212.3 c1ccc2c(N3CCNCC3)cccc2c1 Homo sapiens CHEMBL616530 single protein format
CHEMBL128 OBDepict CH 3 HN S O O N H N CH 3 H 3 C IC50 = 11.0 nM 295.41 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Homo sapiens CHEMBL616642 cell-based format
CHEMBL423599 OBDepict H 3 C N O H N N H N N N IC50 = 11.0 nM 442.57 CC(=O)N(Cc1ccccc1)C[C@@H]1CCN(CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1 Homo sapiens CHEMBL616641 cell-based format