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Q01959 | SC6A3_HUMAN | Sodium-dependent dopamine transporter (SLC6A3)

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
CHEMBL382741 OBDepict N O OH H N H H 3 C H 3 C IC50 = 0.002 nM 374.48 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N Homo sapiens CHEMBL1055308 single protein format
CHEMBL1204009 OBDepict H 3 C O O O N OH H N H H 3 C CH 3 ClH IC50 = 0.059 nM 511.06 CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1.Cl Homo sapiens CHEMBL1055308 single protein format
CHEMBL353333 OBDepict H 3 C O O H NH H I Ki = 0.12 nM 371.22 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2 Homo sapiens CHEMBL670050 cell-based format
CHEMBL180672 OBDepict N O Cl HO H N H CH 3 CH 3 IC50 = 0.2 nM 408.93 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N Homo sapiens CHEMBL1055308 single protein format
CHEMBL422290 OBDepict H 3 C S S O O H N H CH 3 F IC50 = 0.227 nM 411.61 CSCCSCCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C Homo sapiens CHEMBL671435 single protein format
CHEMBL495464 OBDepict Br Br H H N H CH 3 H H 3 C ClH IC50 = 0.23 nM 435.63 Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C=C(Br)Br)N3C)cc1.Cl Homo sapiens CHEMBL958092 single protein format
CHEMBL91184 OBDepict CH 3 O O N H 3 C H HO H Cl Cl IC50 = 0.3 nM 344.24 COC(=O)C1C(c2ccc(Cl)c(Cl)c2)C[C@H]2C[C@@H](O)C1N2C Homo sapiens CHEMBL673261 tissue-based format
CHEMBL494626 OBDepict Br Br H H N H CH 3 H Cl ClH IC50 = 0.32 nM 456.05 CN1[C@H]2CC[C@@H]1[C@@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2.Cl Homo sapiens CHEMBL958092 single protein format
CHEMBL28394 OBDepict Cl H N H CH 3 Cl IC50 = 0.36 nM 296.24 CN1C2CCC1[C@@H](/C=C/Cl)[C@@H](c1ccc(Cl)cc1)C2 Homo sapiens CHEMBL674120 single protein format
CHEMBL1643896 OBDepict I H H H N N O H H 3 C IC50 = 0.37 nM 424.33 CN1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCC1)[C@@H](c1ccc(I)cc1)C2 Homo sapiens CHEMBL1646232 single protein format
CHEMBL380406 OBDepict OH O O OH F O F N OH H Ki = 0.4 nM 555.62 O=C(O)C(=O)O.O[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL867622 single protein format
CHEMBL1214007 OBDepict F N H H O O CH 3 Br Ki = 0.4 nM 396.3 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C/C=C/CF Homo sapiens CHEMBL1217134 single protein format
CHEMBL137718 OBDepict F O F N Ki = 0.45 nM 447.57 Fc1ccc(C(OCCC2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL675530 single protein format
CHEMBL311347 OBDepict H 3 C O O H N H CH 3 H I Ki = 0.48 nM 385.25 COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C Homo sapiens CHEMBL670046 cell-based format
CHEMBL348552 OBDepict CH 3 O O N H CH 3 I Ki = 0.48 nM 399.27 COC(=O)C1C2CCC(C[C@@H]1c1ccc(I)cc1)CN2C Homo sapiens CHEMBL670938 cell-based format
CHEMBL72 OBDepict CH 3 N H N Ki = 0.49 nM 266.39 CNCCCN1c2ccccc2CCc2ccccc21 Homo sapiens CHEMBL670050 cell-based format
CHEMBL87567 OBDepict CH 3 O O N CH 3 IC50 = 0.49 nM 309.41 COC(=O)C1C(c2ccc3ccccc3c2)CC2CCC1N2C Homo sapiens CHEMBL673259 tissue-based format
CHEMBL1214059 OBDepict F N H H O O CH 3 I Ki = 0.5 nM 443.3 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C/C=C/CF Homo sapiens CHEMBL1217134 single protein format
CHEMBL381256 OBDepict OH O O HO F O F N H H Ki = 0.5 nM 551.63 Fc1ccc(C(OCCC2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1.O=C(O)C(=O)O Homo sapiens CHEMBL867622 single protein format
CHEMBL318138 OBDepict CH 3 O O H N CH 3 IC50 = 0.57 nM 309.41 COC(=O)[C@H]1C(c2ccc3ccccc3c2)CC2CCC1N2C Homo sapiens CHEMBL673259 tissue-based format
CHEMBL50858 OBDepict CH 3 O O N H CH 3 H CH 3 Cl IC50 = 0.6 nM 307.82 COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C Homo sapiens CHEMBL671432 single protein format
CHEMBL1214006 OBDepict F N H H O O CH 3 Cl Ki = 0.6 nM 351.85 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C/C=C/CF Homo sapiens CHEMBL1217134 single protein format
CHEMBL169471 OBDepict H 3 C O O NH Cl Cl IC50 = 0.66 nM 314.21 COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2 Homo sapiens CHEMBL673254 tissue-based format
CHEMBL2112916 OBDepict F O CH 3 H O N CH 3 Cl Ki = 0.67 nM 339.84 C[C@@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C Homo sapiens CHEMBL670048 cell-based format
CHEMBL14613 OBDepict H 3 C O O NH I Ki = 0.69 nM 371.22 COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 Homo sapiens CHEMBL670939 cell-based format
CHEMBL3673167 OBDepict Cl Cl N O N N F F F IC50 = 0.7 nM 480.32 FC(F)(F)c1ccc(Oc2ccc3c(c2)CN2CCC3(c3ccc(Cl)c(Cl)c3)CC2)nn1 Homo sapiens CHEMBL3705745 cell membrane format
CHEMBL416409 OBDepict F O F N Ki = 0.71 nM 471.59 Fc1ccc(C(OCCC2CCN(Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL675530 single protein format
CHEMBL538405 OBDepict F O F N N H Ki = 0.73 nM 460.57 Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL675530 single protein format
CHEMBL1812741 OBDepict H 3 C N O H H N H H 3 C H CH 3 IC50 = 0.75 nM 310.44 CCc1cc([C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@H]2N3C)on1 Homo sapiens CHEMBL1815453 cell-based format
CHEMBL27646 OBDepict F O N F N OH H Ki = 0.75 nM 466.57 O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL977015 single protein format
CHEMBL606929 OBDepict CH 3 O O H N H 3 C H HO H Cl Cl IC50 = 0.76 nM 344.24 COC(=O)[C@@H]1C(c2ccc(Cl)c(Cl)c2)C[C@H]2C[C@@H](O)C1N2C Homo sapiens CHEMBL673261 tissue-based format
CHEMBL383682 OBDepict OH O O OH F O F N OH H Ki = 0.8 nM 555.62 O=C(O)C(=O)O.O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Homo sapiens CHEMBL867622 single protein format
CHEMBL494807 OBDepict CH 3 H H H N H H 3 C ClH IC50 = 0.8 nM 351.92 Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C#Cc2ccccc2)N3C)cc1.Cl Homo sapiens CHEMBL958092 single protein format
CHEMBL494814 OBDepict Cl H H H N H CH 3 ClH IC50 = 0.8 nM 372.34 CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@@H](c1ccc(Cl)cc1)C2.Cl Homo sapiens CHEMBL958092 single protein format
CHEMBL457865 OBDepict H 3 C O O H H N H H 3 C H H 3 C Cl ClH IC50 = 0.82 nM 344.28 COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(C)c2)C[C@H]2CC[C@H]1N2C.Cl Homo sapiens CHEMBL1013549 single protein format
CHEMBL1812739 OBDepict CH 3 O H 3 C O H H N H H 3 C H CH 3 IC50 = 0.83 nM 301.43 Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC(C)C)N3C)cc1 Homo sapiens CHEMBL1815453 cell-based format
CHEMBL1947088 OBDepict H 3 C O O H H N H H I CH 3 F F F Ki = 0.87 nM 493.31 COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C(I)=C/C(F)(F)F Homo sapiens CHEMBL1947471 cell-based format
CHEMBL28394 OBDepict Cl H N H CH 3 Cl Ki = 0.88 nM 296.24 CN1C2CCC1[C@@H](/C=C/Cl)[C@@H](c1ccc(Cl)cc1)C2 Homo sapiens CHEMBL675532 single protein format
CHEMBL205025 OBDepict OH O O OH F O F N OH H Ki = 0.9 nM 555.62 O=C(O)C(=O)O.O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Homo sapiens CHEMBL867622 single protein format
CHEMBL444540 OBDepict OH O O OH F O F N H 3 C H Ki = 0.9 nM 553.65 C[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O=C(O)C(=O)O Homo sapiens CHEMBL867622 single protein format
CHEMBL345689 OBDepict H 3 C O H 3 C O N H CH 3 Cl Ki = 0.9 nM 335.88 CC(C)OC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)CN2C Homo sapiens CHEMBL670048 cell-based format
CHEMBL225235 OBDepict CH 3 H H N H 3 C F IC50 = 0.9 nM 309.43 Cc1ccc([C@H]2CC3CCC([C@H]2c2ccc(F)cc2)N3C)cc1 Homo sapiens CHEMBL915898 single protein format
CHEMBL522699 OBDepict Cl H H H N H CH 3 + N O _ O ClH IC50 = 0.9 nM 417.34 CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)C2.Cl Homo sapiens CHEMBL958092 single protein format
CHEMBL3704754 OBDepict H 2 N O HN H 3 C H Cl Cl Ki = 0.91 nM 371.35 C[C@@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1 Homo sapiens CHEMBL3705842 single protein format
CHEMBL219649 OBDepict CH 3 HN Cl Cl Ki = 0.97 nM 286.25 CCCC(c1ccc(Cl)c(Cl)c1)C1CCCCN1 Homo sapiens CHEMBL911118 cell-based format
CHEMBL136057 OBDepict F O F N O Ki = 0.99 nM 437.53 Fc1ccc(C(OCCC2CCN(C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL675530 single protein format
CHEMBL1683880 OBDepict CH 3 N N Cl Cl IC50 < 1.0 nM 341.33 CN1CCN(CC2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1 Homo sapiens CHEMBL1686717 single protein format
CHEMBL1683874 OBDepict H 3 C N H 3 C Cl Cl IC50 = 1.0 nM 286.25 CN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1 Homo sapiens CHEMBL1686717 single protein format
CHEMBL1683875 OBDepict H 3 C N H 3 C Cl Cl IC50 = 1.0 nM 300.27 CCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1 Homo sapiens CHEMBL1686717 single protein format
CHEMBL218999 OBDepict CH 3 H 3 C NH Cl Cl Ki = 1.0 nM 300.27 CC(C)CC(c1ccc(Cl)c(Cl)c1)C1CCCCN1 Homo sapiens CHEMBL911118 cell-based format
CHEMBL574427 OBDepict F O F F HN Ki = 1.0 nM 307.31 Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1 Homo sapiens CHEMBL1047379 cell-based format
CHEMBL1683899 OBDepict CH 3 N CH 3 IC50 = 1.0 nM 267.42 CN(C)CC1(c2cccc3ccccc23)CCCCC1 Homo sapiens CHEMBL1686717 single protein format
CHEMBL102144 OBDepict CH 3 O O Br IC50 = 1.0 nM 367.24 COC(=O)c1ccccc1-c1ccc(-c2ccc(Br)cc2)cc1 Homo sapiens CHEMBL673259 tissue-based format
CHEMBL1684044 OBDepict H 3 C CH 3 NH 2 Cl Cl IC50 < 1.0 nM 314.3 CC(C)CC(N)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 Homo sapiens CHEMBL1686821 cell-based format
CHEMBL382673 OBDepict H 3 C HN H H S O O NH 2 Cl Cl IC50 < 1.0 nM 385.32 CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL862305 cell-based format
CHEMBL1683876 OBDepict CH 3 N CH 3 Cl Cl IC50 < 1.0 nM 314.3 CCN(CC)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1 Homo sapiens CHEMBL1686717 single protein format
CHEMBL136154 OBDepict F O F N O Ki = 1.01 nM 461.55 Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL675530 single protein format
CHEMBL132955 OBDepict Cl HO N N Cl Cl Ki = 1.05 nM 353.64 OC1(c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21 Homo sapiens CHEMBL675649 cell-based format
CHEMBL300226 OBDepict CH 3 O O N H CH 3 H I IC50 = 1.08 nM 385.25 COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C Homo sapiens CHEMBL673255 single protein format
CHEMBL544370 OBDepict HO N N O O ClH IC50 = 1.09 nM 344.8 Cl.OC1(c2ccc3c(c2)OCO3)c2ccccc2C2=NCCCN21 Homo sapiens CHEMBL672990 cell membrane format
CHEMBL77867 OBDepict F O F N Ki = 1.1 nM 449.59 Fc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL675530 single protein format
CHEMBL306208 OBDepict H 3 C O O N CH 3 Cl Ki = 1.1 nM 293.79 COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C Homo sapiens CHEMBL872498 cell-based format
CHEMBL205005 OBDepict OH O O OH F O F N Ki = 1.1 nM 563.64 Fc1ccc(C(OCCC2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1.O=C(O)C(=O)O Homo sapiens CHEMBL867622 single protein format
CHEMBL87031 OBDepict H 3 C O O N CH 3 Cl Cl IC50 = 1.1 nM 328.24 COC(=O)C1C(c2ccc(Cl)c(Cl)c2)CC2CCC1N2C Homo sapiens CHEMBL673259 tissue-based format
CHEMBL86590 OBDepict H 3 C O O N CH 3 H OH Cl Cl IC50 = 1.1 nM 358.27 CCOC(=O)C1C(c2ccc(Cl)c(Cl)c2)CC2C[C@@H](O)C1N2C Homo sapiens CHEMBL673261 tissue-based format
CHEMBL42553 OBDepict H 3 C O O H N H CH 3 Cl Cl IC50 = 1.1 nM 328.24 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C Homo sapiens CHEMBL948023 cell-based format
CHEMBL3897671 OBDepict H 3 C O N H H CH 3 H 3 C Cl Cl Ki = 1.16 nM 386.41 CCOCCCCN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 Homo sapiens CHEMBL3887868 single protein format
CHEMBL330228 OBDepict H 3 C O O N CH 3 H OH Cl Cl IC50 = 1.19 nM 344.24 COC(=O)C1C(c2ccc(Cl)c(Cl)c2)CC2C[C@@H](O)C1N2C Homo sapiens CHEMBL673261 tissue-based format
CHEMBL1643901 OBDepict F N H 3 C H Ki = 1.2 nM 283.39 CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 Homo sapiens CHEMBL1646405 cell-based format
CHEMBL486278 OBDepict CH 3 O N H H 3 C H 3 C OH H O N H N O H IC50 = 1.2 nM 385.46 COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 Homo sapiens CHEMBL1055308 single protein format
CHEMBL88915 OBDepict H 3 C O O N CH 3 Cl Cl IC50 = 1.2 nM 326.22 COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CC2CCC1N2C Homo sapiens CHEMBL673258 tissue-based format
CHEMBL281288 OBDepict CH 2 H N H CH 3 Cl IC50 = 1.2 nM 261.8 C=C[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C Homo sapiens CHEMBL674118 single protein format
CHEMBL224062 OBDepict CH 3 O H N H CH 3 CH 3 IC50 = 1.23 nM 321.46 COc1ccc([C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1 Homo sapiens CHEMBL915898 single protein format
CHEMBL14391 OBDepict H 3 C O O N CH 3 I IC50 = 1.26 nM 385.25 COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C Homo sapiens CHEMBL672387 tissue-based format
CHEMBL542933 OBDepict F O N F N ClH Ki = 1.3 nM 487.03 Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL2394496 cell-based format
CHEMBL343534 OBDepict F O F N S Ki = 1.3 nM 453.6 Fc1ccc(C(OCCC2CCN(C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL675530 single protein format
CHEMBL383071 OBDepict OH O O OH F O F N CH 3 H Ki = 1.3 nM 553.65 C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1.O=C(O)C(=O)O Homo sapiens CHEMBL867622 single protein format
CHEMBL311347 OBDepict H 3 C O O H N H CH 3 H I IC50 = 1.3 nM 385.25 COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C Homo sapiens CHEMBL915412 single protein format
CHEMBL3105243 OBDepict F O O H H N H H I I Ki = 1.33 nM 569.2 O=C(OCCF)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I Homo sapiens CHEMBL3106616 single protein format
CHEMBL2096877 OBDepict H 3 C H N H H 3 C CH 3 IC50 = 1.35 nM 305.47 Cc1ccc([C@H]2CC3CCC([C@H]2c2ccc(C)cc2)N3C)cc1 Homo sapiens CHEMBL915898 single protein format
CHEMBL206128 OBDepict OH O O HO F O F N H H Ki = 1.4 nM 551.63 Fc1ccc(C(OCCC2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1.O=C(O)C(=O)O Homo sapiens CHEMBL867622 single protein format
CHEMBL220195 OBDepict CH 3 O O HN Cl Cl Ki = 1.4 nM 302.2 COC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCCN1 Homo sapiens CHEMBL911118 cell-based format
CHEMBL204586 OBDepict H HO N O OH O O OH Ki = 1.4 nM 519.64 O=C(O)C(=O)O.O[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1 Homo sapiens CHEMBL867622 single protein format
CHEMBL494624 OBDepict Br Br H H N H CH 3 H Cl ClH IC50 = 1.4 nM 456.05 CN1[C@H]2CC[C@@H]1[C@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2.Cl Homo sapiens CHEMBL958092 single protein format
CHEMBL306208 OBDepict H 3 C O O N CH 3 Cl IC50 = 1.4 nM 293.79 COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C Homo sapiens CHEMBL672387 tissue-based format
CHEMBL81525 OBDepict H 3 C O O NH Cl IC50 = 1.43 nM 279.77 COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 Homo sapiens CHEMBL673254 tissue-based format
CHEMBL814 OBDepict NH 2 O N O F F F CH 3 Ki = 1.46 nM 318.34 COCCCC/C(=NOCCN)c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL670050 cell-based format
CHEMBL3704753 OBDepict H 3 C N H Cl Cl O H 2 N Ki = 1.5 nM 371.35 CC(CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1 Homo sapiens CHEMBL3705842 single protein format
CHEMBL3946788 OBDepict H 3 C CH 3 N H Cl Cl O NH 2 Ki = 1.5 nM 371.35 CC(C)CC(NCCCC(N)=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 Homo sapiens CHEMBL3888215 single protein format
CHEMBL1812747 OBDepict CH 3 N O H H N H CH 3 H H 3 C Cl IC50 = 1.5 nM 330.86 Cc1cc([C@H]2[C@@H](c3ccc(Cl)c(C)c3)C[C@@H]3CC[C@H]2N3C)on1 Homo sapiens CHEMBL1815453 cell-based format
CHEMBL469887 OBDepict H 3 C O N O H N H CH 3 Cl ClH IC50 = 1.57 nM 445.39 COc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1.Cl Homo sapiens CHEMBL948346 single protein format
CHEMBL286312 OBDepict CH H N H Ki = 1.6 nM 273.38 C#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1 Homo sapiens CHEMBL4219663 single protein format
CHEMBL383464 OBDepict OH O O OH F O F N OH H Ki = 1.6 nM 569.65 O=C(O)C(=O)O.O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL867622 single protein format
CHEMBL137020 OBDepict F O F N S Ki = 1.61 nM 477.62 Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL675530 single protein format
CHEMBL130477 OBDepict Cl HO N N Ki = 1.7 nM 298.77 OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCCN21 Homo sapiens CHEMBL675648 cell-based format
CHEMBL218082 OBDepict H 3 C O O H N H CH 3 Br IC50 = 1.7 nM 338.24 COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C Homo sapiens CHEMBL915412 single protein format
CHEMBL224819 OBDepict H 3 C O O H N H CH 3 Br IC50 = 1.7 nM 338.24 COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)N2C Homo sapiens CHEMBL915412 single protein format
CHEMBL312037 OBDepict H 3 C O O H N H CH 3 H H 3 C IC50 = 1.7 nM 273.38 COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C Homo sapiens CHEMBL915412 single protein format
CHEMBL610897 OBDepict CH 3 O O N H CH 3 H Cl IC50 = 1.7 nM 293.79 COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C Homo sapiens CHEMBL674119 single protein format
CHEMBL1945251 OBDepict I N H H H H O O H 3 C I Ki = 1.72 nM 537.18 COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I Homo sapiens CHEMBL3106616 single protein format