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Q16572 | VACHT_HUMAN | Vesicular acetylcholine transporter (SLC18A3)

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
CHEMBL87379 OBDepict H OH H N Ki = 0.055 nM 307.44 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL50880 OBDepict I N H N H HO Ki = 0.13 nM 476.4 O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL473547 OBDepict Br O N H H OH ClH Ki = 0.25 nM 450.8 Cl.O=C(c1ccc(Br)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL945287 cell-based format
CHEMBL330635 OBDepict I N H H H N H HO Ki = 0.26 nM 530.49 O[C@@H]1C[C@H]2CCCN(Cc3cccc(I)c3)[C@@H]2C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817829 single protein format
CHEMBL97524 OBDepict O N H H H N H HO Ki = 0.3 nM 418.58 O=C(c1ccccc1)N1CCC[C@@H]2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C[C@H]21 Homo sapiens CHEMBL817829 single protein format
CHEMBL1956465 OBDepict F N O H 3 C H N H OH Ki = 0.32 nM 409.54 CCN(C(=O)C[18F])c1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 Homo sapiens CHEMBL1960494 single protein format
CHEMBL87594 OBDepict H OH H N Ki = 0.36 nM 333.47 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCc3ccccc32)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL87414 OBDepict F N H N H HO Ki = 0.36 nM 394.53 O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc32)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL95701 OBDepict I N H H H N H HO Ki = 0.4 nM 480.43 O[C@@H]1C[C@H]2CCCN(C/C=C/I)[C@@H]2C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817829 single protein format
CHEMBL129530 OBDepict F N H N H OH Ki = 0.44 nM 368.5 O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL316520 OBDepict H OH H N H H N H Ki = 0.44 nM 314.47 O[C@@H]1C[C@H]2CCCN[C@@H]2C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817829 single protein format
CHEMBL1956464 OBDepict F N H N H OH Ki = 0.44 nM 367.5 O[C@@H]1CCN(Cc2ccc([18F])cc2)C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL1960494 single protein format
CHEMBL510679 OBDepict I O H N H HO Ki = 0.45 nM 489.4 O[C@@H]1Cc2cccc(OC/C=C/I)c2C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL945287 cell-based format
CHEMBL473751 OBDepict O N + N O _ O H H OH Ki = 0.48 nM 380.44 O=C(c1ccc([N+](=O)[O-])cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL945287 cell-based format
CHEMBL314170 OBDepict I N H N H OH Ki = 0.67 nM 502.44 O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCc3ccccc32)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL462659 OBDepict F O H N H HO Ki = 0.77 nM 383.51 O[C@@H]1Cc2cccc(OCCCF)c2C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL945287 cell-based format
CHEMBL2409366 OBDepict O N N H H H H H H HO Ki = 0.78 nM 363.49 [11CH3]Nc1ccc(C(=O)C2CCN([C@H]3Cc4ccccc4C[C@@H]3O)CC2)cc1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL3597316 OBDepict F O O O N H H HO Ki = 0.87 nM 441.54 O=C(c1ccc(OCCOCCF)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL3600039 single protein format
CHEMBL2409373 OBDepict O N N CH 3 CH 3 H H OH Ki = 0.93 nM 378.52 CN(C)c1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL95857 OBDepict F N H H H N H HO Ki = 0.99 nM 422.59 O[C@@H]1C[C@H]2CCCN(Cc3ccc(F)cc3)[C@@H]2C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817829 single protein format
CHEMBL3597317 OBDepict F O O O O N H H HO Ki = 1.23 nM 485.6 O=C(c1ccc(OCCOCCOCCF)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL3600039 single protein format
CHEMBL1645202 OBDepict F O N Ki = 1.4 nM 325.43 FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL1941656 single protein format
CHEMBL3597320 OBDepict F O H N H HO O F Ki = 1.55 nM 415.48 O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3c(cccc3OCCF)C[C@H]2O)CC1 Homo sapiens CHEMBL3600039 single protein format
CHEMBL473548 OBDepict NH 2 O N H H OH Ki = 1.68 nM 350.46 Nc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1 Homo sapiens CHEMBL945287 cell-based format
CHEMBL3597315 OBDepict F O O N H H OH Ki = 1.74 nM 397.49 O=C(c1ccc(OCCF)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL3600039 single protein format
CHEMBL20730 OBDepict H OH H N Ki = 2.0 nM 259.39 O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL473129 OBDepict F O N H H OH Ki = 2.7 nM 353.44 O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL945287 cell-based format
CHEMBL3597324 OBDepict F O H N H HO Ki = 2.7 nM 429.54 O=C(c1ccc(F)cc1)c1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 Homo sapiens CHEMBL3600039 single protein format
CHEMBL2409374 OBDepict CH 3 N H O N H H OH Ki = 3.03 nM 364.49 CNc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL1186644 OBDepict O N H H HO Ki = 4.3 nM 335.45 O=C(c1ccccc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL473546 OBDepict O N H H OH ClH Ki = 4.3 nM 371.91 Cl.O=C(c1ccccc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL945287 cell-based format
CHEMBL3597318 OBDepict F O N H H OH HO Ki = 4.64 nM 369.44 O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3c(O)cccc3C[C@H]2O)CC1 Homo sapiens CHEMBL3600039 single protein format
CHEMBL1089205 OBDepict O S N H H HO Ki = 5.0 nM 341.48 O=C(c1cccs1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL330386 OBDepict I N H H H OH H N Ki = 5.2 nM 530.49 O[C@@H]1C[C@@H]2[C@H](CCCN2Cc2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817829 single protein format
CHEMBL315146 OBDepict H HO H N Ki = 7.6 nM 285.43 O[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc32)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL2409385 OBDepict CH 3 O N O N H H OH Ki = 8.36 nM 366.46 COc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cn1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL125795 OBDepict H OH H N Ki = 8.5 nM 333.48 O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(c1ccccc1)C2 Homo sapiens CHEMBL817828 single protein format
CHEMBL338411 OBDepict H OH H N Ki = 8.5 nM 285.43 O[C@H]1CCCC[C@@H]1N1C2CCC1CC(c1ccccc1)C2 Homo sapiens CHEMBL817828 single protein format
CHEMBL20721 OBDepict OH N IC50 = 10.0 nM 313.49 OC1CC2CCCCC2CC1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL636849 single protein format
CHEMBL318675 OBDepict F N H H H HO H N Ki = 10.0 nM 422.59 O[C@@H]1C[C@@H]2[C@H](CCCN2Cc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL817829 single protein format
CHEMBL2409368 OBDepict F N O N H H HO Ki = 10.1 nM 354.42 O=C(c1cncc(F)c1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL2047236 OBDepict OH O O HO CH 3 O O N H N H HO O S H 3 C Ki = 10.2 nM 532.62 COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4sccc4C)CC[C@H]3O)CC2)cc1.O=C(O)C(=O)O Homo sapiens CHEMBL2050134 cell-based format
CHEMBL339863 OBDepict HO N Br Ki = 10.3 nM 400.36 OC(Cc1ccc(Br)cc1)CN1C2CCC1CC(c1ccccc1)C2 Homo sapiens CHEMBL817828 single protein format
CHEMBL461956 OBDepict F O H H N H OH Ki = 10.7 nM 383.51 O[C@@H]1CC[C@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL945287 cell-based format
CHEMBL207303 OBDepict OH N N N Br IC50 = 11.0 nM 430.39 OC1CN(Cc2ccccc2Br)CCC1N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL870017 cell-based format
CHEMBL2047126 OBDepict OH O O OH F O N H N H HO O S CH 3 Ki = 11.4 nM 520.58 Cc1ccsc1C(=O)N1CC[C@@H](O)[C@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)C1.O=C(O)C(=O)O Homo sapiens CHEMBL2050134 cell-based format
CHEMBL197027 OBDepict HO O + N CH 3 H 3 C HO O + N H 3 C H 3 C _ Br _ Br IC50 = 12.0 nM 574.35 C[N+]1(C)CCOC(O)(c2ccc(-c3ccc(C4(O)C[N+](C)(C)CCO4)cc3)cc2)C1.[Br-].[Br-] Homo sapiens CHEMBL883394 single protein format
CHEMBL2409372 OBDepict F N O N H H HO Ki = 12.7 nM 354.42 O=C(c1cccnc1F)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL3597321 OBDepict F O N OH O F Ki = 13.0 nM 415.48 O=C(c1ccc(F)cc1)C1CCN(C2Cc3c(cccc3OCCF)CC2O)CC1 Homo sapiens CHEMBL3600039 single protein format
CHEMBL126762 OBDepict I N H N H OH Ki = 14.5 nM 502.44 O[C@H]1CCN(Cc2cccc(I)c2)C[C@@H]1N1C2CCC1CC(c1ccccc1)C2 Homo sapiens CHEMBL817828 single protein format
CHEMBL2047232 OBDepict OH O O HO H 3 C O O N H N H HO O Ki = 15.4 nM 512.56 COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3O)CC2)cc1.O=C(O)C(=O)O Homo sapiens CHEMBL2050134 cell-based format
CHEMBL340815 OBDepict I N H N H HO N CH 3 Ki = 17.0 nM 517.46 CN1CC2(CCN([C@@H]3CN(Cc4cccc(I)c4)CC[C@H]3O)CC2)c2ccccc21 Homo sapiens CHEMBL817828 single protein format
CHEMBL2409381 OBDepict CH 3 N O N H H HO Ki = 18.4 nM 338.45 Cn1cccc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL2047234 OBDepict OH O O OH CH 3 O O N H N H HO O S Ki = 19.0 nM 518.59 COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4cccs4)CC[C@H]3O)CC2)cc1.O=C(O)C(=O)O Homo sapiens CHEMBL2050134 cell-based format
CHEMBL2409367 OBDepict CH 3 N H O N OH Ki = 19.0 nM 364.49 CNc1ccc(C(=O)C2CCN(C3Cc4ccccc4CC3O)CC2)cc1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL20730 OBDepict H OH H N IC50 = 20.0 nM 259.39 O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL636849 single protein format
CHEMBL20463 OBDepict H OH H N H CH 3 CH 3 CH 3 IC50 = 20.0 nM 315.5 CC(C)(C)[C@H]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1 Homo sapiens CHEMBL636849 single protein format
CHEMBL1822239 OBDepict CH 3 N H H OH Ki = 22.9 nM 273.42 Cc1ccc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 Homo sapiens CHEMBL1827957 cell-based format
CHEMBL2409379 OBDepict CH 3 O N O N H H OH H 2 N Ki = 23.3 nM 381.48 COc1ccc(C(=O)C2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)cn1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL2409383 OBDepict O N N H H HO Ki = 24.1 nM 336.43 O=C(c1cccnc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL2409371 OBDepict F N O N H H OH Ki = 26.1 nM 354.42 O=C(c1ccc(F)nc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL2409382 OBDepict H 3 C N O N H H OH Ki = 26.6 nM 338.45 Cn1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)c1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL1956463 OBDepict F N O O H N H HO Ki = 27.5 nM 437.55 O=C(c1ccc([18F])cc1)N1CCOC2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)CC21 Homo sapiens CHEMBL1960495 cell-based format
CHEMBL2409384 OBDepict CH 3 N O N H H OH Ki = 27.9 nM 350.46 Cc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cn1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL126479 OBDepict Br OH N Ki = 30.0 nM 360.3 OC(CN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1 Homo sapiens CHEMBL817828 single protein format
CHEMBL126488 OBDepict F N H N H OH N H 3 C Ki = 33.0 nM 409.55 CN1CC2(CCN([C@@H]3CN(Cc4ccc(F)cc4)CC[C@H]3O)CC2)c2ccccc21 Homo sapiens CHEMBL817828 single protein format
CHEMBL172975 OBDepict O N H N H OH IC50 = 34.0 nM 364.49 O=C(c1ccccc1)N1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1 Homo sapiens CHEMBL2050140 single protein format
CHEMBL1822407 OBDepict CH 3 O O N H N H OH Ki = 35.5 nM 408.54 COc1ccc(C(=O)C2CCN([C@H]3CN(Cc4ccccc4)CC[C@@H]3O)CC2)cc1 Homo sapiens CHEMBL1827957 cell-based format
CHEMBL2409375 OBDepict F O N O N H H OH Ki = 38.0 nM 398.48 O=C(c1ccc(OCCF)nc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL2409377 OBDepict NH 2 H N H OH O N CH 3 Ki = 38.7 nM 353.47 Cn1cccc1C(=O)C1CCN([C@@H]2Cc3c(N)cccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL21309 OBDepict OH N IC50 = 40.0 nM 265.44 OC1CCCCC1N1CCC(C2CCCCC2)CC1 Homo sapiens CHEMBL636849 single protein format
CHEMBL20943 OBDepict OH N IC50 = 40.0 nM 259.39 OC1CCCCC1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL636849 single protein format
CHEMBL1822392 OBDepict CH 3 O O N H H OH N Ki = 44.2 nM 408.54 COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4ccccc4)C[C@@H]3O)CC2)cc1 Homo sapiens CHEMBL1827957 cell-based format
CHEMBL207342 OBDepict Br N N OH N IC50 = 46.0 nM 430.39 OC1CCN(Cc2cccc(Br)c2)CC1N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL870017 cell-based format
CHEMBL207191 OBDepict OH N N N Br IC50 = 47.0 nM 430.39 OC1CCN(Cc2ccccc2Br)CC1N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL870017 cell-based format
CHEMBL2409378 OBDepict CH 3 N O N H H OH H 2 N Ki = 48.0 nM 365.48 Cc1ccc(C(=O)C2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)cn1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL1822405 OBDepict CH 3 O O N H N H OH F Ki = 48.6 nM 426.53 COc1ccc(C(=O)C2CCN([C@H]3CN(Cc4ccc(F)cc4)CC[C@@H]3O)CC2)cc1 Homo sapiens CHEMBL1827957 cell-based format
CHEMBL20382 OBDepict HO O NH O N OH IC50 = 50.0 nM 422.53 O=C(O)CCC(=O)Nc1cccc2c1CC(N1CCC(c3ccccc3)CC1)C(O)C2 Homo sapiens CHEMBL636849 single protein format
CHEMBL21151 OBDepict OH N IC50 = 50.0 nM 307.44 OC1Cc2ccccc2CC1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL636849 single protein format
CHEMBL20499 OBDepict CH 3 HN O N OH IC50 = 50.0 nM 364.49 CC(=O)Nc1cccc2c1CC(N1CCC(c3ccccc3)CC1)C(O)C2 Homo sapiens CHEMBL636849 single protein format
CHEMBL21271 OBDepict CH 3 O N OH IC50 = 50.0 nM 315.46 CCC(=O)C1(c2ccccc2)CCN(C2CCCCC2O)CC1 Homo sapiens CHEMBL636849 single protein format
CHEMBL3597319 OBDepict F O N H H OH OH Ki = 56.2 nM 369.44 O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3cccc(O)c3C[C@H]2O)CC1 Homo sapiens CHEMBL3600039 single protein format
CHEMBL207868 OBDepict OH N N N IC50 = 57.0 nM 351.49 OC1CN(Cc2ccccc2)CCC1N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL870017 cell-based format
CHEMBL127013 OBDepict HO N Cl Cl Ki = 60.0 nM 376.33 OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817828 single protein format
CHEMBL2047122 OBDepict OH O O OH F O N H N H OH O Ki = 62.7 nM 500.52 O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3ccccc3)CC[C@H]2O)CC1 Homo sapiens CHEMBL2050134 cell-based format
CHEMBL207402 OBDepict Br N OH N N IC50 = 66.0 nM 430.39 OC1CN(Cc2cccc(Br)c2)CCC1N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL870017 cell-based format
CHEMBL2409369 OBDepict O N O N CH 3 H H OH Ki = 66.2 nM 366.46 Cn1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1=O Homo sapiens CHEMBL2412886 cell-based format
CHEMBL21243 OBDepict OH N IC50 = 70.0 nM 301.47 OC1CCCCC1N1CCC(CCCc2ccccc2)CC1 Homo sapiens CHEMBL636849 single protein format
CHEMBL127180 OBDepict H 3 C N N H H HO Ki = 74.0 nM 300.45 CN1CC2(CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21 Homo sapiens CHEMBL817828 single protein format
CHEMBL2409376 OBDepict F O N O N H H HO Ki = 76.4 nM 398.48 O=C(c1ncccc1OCCF)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 Homo sapiens CHEMBL2412886 cell-based format
CHEMBL339491 OBDepict H 3 C N N H H HO Ki = 77.0 nM 348.49 CN1CC2(CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)c2ccccc21 Homo sapiens CHEMBL817828 single protein format
CHEMBL341139 OBDepict F O N Ki = 85.0 nM 351.47 O=C(CCCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL817828 single protein format
CHEMBL340185 OBDepict Br OH H N Ki = 86.0 nM 400.36 O[C@H](Cc1ccc(Br)cc1)CN1CCC2(CCc3ccccc32)CC1 Homo sapiens CHEMBL817828 single protein format
CHEMBL21722 OBDepict H OH H N H CH 3 H 3 C CH 3 IC50 = 90.0 nM 315.5 CC(C)(C)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)[C@H](O)C1 Homo sapiens CHEMBL636849 single protein format
CHEMBL3597322 OBDepict F O H OH H N O F Ki = 92.8 nM 415.48 O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3cccc(OCCF)c3C[C@H]2O)CC1 Homo sapiens CHEMBL3600039 single protein format
CHEMBL20481 OBDepict OH N N H 3 C IC50 = 100.0 nM 274.41 Cc1ccccc1N1CCN(C2CCCCC2O)CC1 Homo sapiens CHEMBL636849 single protein format
CHEMBL377459 OBDepict OH HN N N IC50 = 100.0 nM 261.37 OC1CNCCC1N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL870017 cell-based format
CHEMBL207710 OBDepict CH 3 N OH N N IC50 = 100.0 nM 315.46 C/C=C/CN1CCC(N2CCN(c3ccccc3)CC2)C(O)C1 Homo sapiens CHEMBL870017 cell-based format
CHEMBL277630 OBDepict HO N NH 2 IC50 = 100.0 nM 322.45 Nc1cccc2c1CC(N1CCC(c3ccccc3)CC1)C(O)C2 Homo sapiens CHEMBL636849 single protein format
CHEMBL278303 OBDepict H HO H OH H N IC50 = 100.0 nM 275.39 O[C@@H]1[C@H](O)CCC[C@H]1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL636849 single protein format