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P14416 | DRD2_HUMAN | D(2) dopamine receptor (DRD2)

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
CHEMBL289330 OBDepict H 3 C N H HN O O Br CH 3 O CH 3 Ki = 0.003 nM 371.28 CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC Homo sapiens CHEMBL982124 single protein format
CHEMBL297302 OBDepict F O N N OH N Ki = 0.027 nM 381.45 O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL3820059 single protein format
CHEMBL8514 OBDepict H N OH CH 3 H 3 C CH 3 H Ki = 0.04 nM 361.53 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 Homo sapiens CHEMBL3297335 cell-based format
CHEMBL1257382 OBDepict O N H O N N Ki = 0.0575 nM 405.54 O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)cc21 Homo sapiens CHEMBL1260558 cell-based format
CHEMBL1303 OBDepict CH 3 N H S OH Ki = 0.06 nM 315.48 CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Homo sapiens CHEMBL671417 cell-based format
CHEMBL156651 OBDepict O N H HN O N H S H O H 2 N Ki = 0.067 nM 352.46 NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 Homo sapiens CHEMBL670962 single protein format
CHEMBL1813595 OBDepict OH O O OH F O N N O N H O Ki = 0.07 nM 529.57 O=C(O)C(=O)O.O=c1ccc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2[nH]1 Homo sapiens CHEMBL1815674 cell-based format
CHEMBL398615 OBDepict NH 2 O N N S S O O CH 3 Ki = 0.07 nM 445.61 CS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2 Homo sapiens CHEMBL3887246 assay format
CHEMBL156164 OBDepict NH 2 O N S O H N O H HN Ki = 0.071 nM 352.46 NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 Homo sapiens CHEMBL670962 single protein format
CHEMBL8946 OBDepict H 3 C N H HN O OH O CH 3 Cl CH 3 Ki = 0.086 nM 340.85 CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O Homo sapiens CHEMBL3270692 cell-based format
CHEMBL317488 OBDepict H 3 C CH 3 NH H HN O O H N H O NH 2 Ki = 0.09 nM 284.36 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O Homo sapiens CHEMBL670962 single protein format
CHEMBL4245263 OBDepict F O N N H N S O O N Ki = 0.1 nM 508.62 O=S(=O)(c1cncc2ccccc12)N1CCC[C@H]1CCN1CCC(c2noc3cc(F)ccc23)CC1 Homo sapiens CHEMBL4229838 cell-based format
CHEMBL538542 OBDepict CH 3 N H HO HO ClH Ki = 0.11 nM 331.84 CCCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl Homo sapiens CHEMBL3119982 cell-based format
CHEMBL267932 OBDepict F O N N O N CH 3 Ki = 0.133 nM 409.51 CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O Homo sapiens CHEMBL3270692 cell-based format
CHEMBL1813594 OBDepict OH O O OH CH 3 O N N O N H O Ki = 0.14 nM 497.55 COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1.O=C(O)C(=O)O Homo sapiens CHEMBL1815674 cell-based format
CHEMBL178803 OBDepict CH 3 N N N F Ki = 0.14 nM 367.51 CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1 Homo sapiens CHEMBL840158 microsome format
CHEMBL4246655 OBDepict H N S N O O N N N S Ki = 0.14 nM 507.69 O=S(=O)(c1cncc2ccccc12)N1CCC[C@H]1CCN1CCN(c2nsc3ccccc23)CC1 Homo sapiens CHEMBL4229838 cell-based format
CHEMBL1739963 OBDepict F O N N N H O S Ki = 0.17 nM 481.64 O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL4350893 cell-based format
CHEMBL3976282 OBDepict O N H S H H N N N S Ki = 0.19 nM 454.67 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1cccs1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL2298829 OBDepict CH 3 O N N O N N H H S Ki = 0.19 nM 384.51 COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1 Homo sapiens CHEMBL3073105 single protein format
CHEMBL267930 OBDepict F O N N O NH Ki = 0.2 nM 395.48 O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1 Homo sapiens CHEMBL673098 single protein format
CHEMBL317433 OBDepict O N H N N O O N H Ki = 0.2 nM 418.5 O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccc4[nH]ccc4c3O1)CC2 Homo sapiens CHEMBL670743 cell-based format
CHEMBL3938210 OBDepict O N H N H H H N N N S Ki = 0.21 nM 437.61 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccc[nH]1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL1813590 OBDepict OH O O OH CH 3 O N N O NH O Ki = 0.22 nM 499.56 COc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1.O=C(O)C(=O)O Homo sapiens CHEMBL1815674 cell-based format
CHEMBL4063235 OBDepict CH 3 O N N O N N N Ki = 0.25 nM 405.5 COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Homo sapiens CHEMBL4010156 cell-based format
CHEMBL1813591 OBDepict OH O O OH F O N N O HN O Ki = 0.26 nM 531.58 O=C(O)C(=O)O.O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2N1 Homo sapiens CHEMBL1815674 cell-based format
CHEMBL567 OBDepict OH N N N S Cl IC50 = 0.3 nM 403.98 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL2390217 cell-based format
CHEMBL4239091 OBDepict H N S N O O N N N S Ki = 0.3 nM 507.69 O=S(=O)(c1cccc2cnccc12)N1CCC[C@@H]1CCN1CCN(c2nsc3ccccc23)CC1 Homo sapiens CHEMBL4229838 cell-based format
CHEMBL4060403 OBDepict O N N HN O N N Cl Cl Ki = 0.3 nM 460.37 O=Cc1cnn2ccc(NC(=O)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12 Homo sapiens CHEMBL4010156 cell-based format
CHEMBL3982360 OBDepict O HN O N N O O Ki = 0.3 nM 437.54 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCO5)CC3)cc2N1 Homo sapiens CHEMBL3887359 single protein format
CHEMBL3895540 OBDepict CH 3 N S O O S H H N N N S Ki = 0.3 nM 504.75 CN([C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)S(=O)(=O)c1cccs1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL113196 OBDepict CH 3 N H OH N H N O N + N O _ O Ki = 0.3 nM 487.56 CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)[C@H]1CCc2c(O)cccc2C1 Homo sapiens CHEMBL671034 tissue-based format
CHEMBL4062817 OBDepict F N H N HN S O O Ki = 0.3 nM 477.61 O=S(=O)(NCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1 Homo sapiens CHEMBL4041093 cell-based format
CHEMBL160296 OBDepict CH 3 O N N O NH O Ki = 0.3 nM 409.53 COc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1 Homo sapiens CHEMBL2169117 cell-based format
CHEMBL2105760 OBDepict H N O O N N S Ki = 0.3 nM 433.58 O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1 Homo sapiens CHEMBL4314365 cell-based format
CHEMBL1257262 OBDepict O N H O N N Ki = 0.302 nM 391.52 O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCC5)CC3)cc21 Homo sapiens CHEMBL1260558 cell-based format
CHEMBL210578 OBDepict F O N HO Cl Ki = 0.31 nM 401.91 O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 Homo sapiens CHEMBL671416 single protein format
CHEMBL3920252 OBDepict O N H H H N N N S Ki = 0.33 nM 448.64 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccccc1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL3933256 OBDepict H N H N H S N O O N N S Ki = 0.35 nM 485.68 O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1cccnc1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL1259128 OBDepict H 3 C N N S N N N N H 3 C Ki = 0.35 nM 406.56 CN1CCN(C2Cc3ccccc3Sc3ccc(Cc4nnn(C)n4)cc32)CC1 Homo sapiens CHEMBL1261596 cell-based format
CHEMBL1223616 OBDepict Cl Cl N N N H N Ki = 0.4 nM 379.33 Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl Homo sapiens CHEMBL1225816 cell-based format
CHEMBL2298822 OBDepict CH 3 O N N N N H H S Ki = 0.4 nM 382.53 COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=S)[nH]c3c2)CC1 Homo sapiens CHEMBL3073105 single protein format
CHEMBL3966956 OBDepict O N H O N N O O Ki = 0.4 nM 435.52 O=c1ccc2ccc(OCCCCN3CCN(c4cccc5c4OCCO5)CC3)cc2[nH]1 Homo sapiens CHEMBL3887359 single protein format
CHEMBL80230 OBDepict HO N O N N OH Ki = 0.41 nM 401.47 Oc1nc2cccc(N3CCN(Cc4ccc(O)c(-c5ccccc5)c4)CC3)c2o1 Homo sapiens CHEMBL672308 single protein format
CHEMBL91542 OBDepict CH 3 N H 3 C N H N Ki = 0.42 nM 303.41 CCN(C)CCc1c(-c2ccc(C#N)cc2)[nH]c2ccccc12 Homo sapiens CHEMBL671361 cell-based format
CHEMBL3948056 OBDepict CH 3 S N H O O H H N N N S Ki = 0.42 nM 498.72 Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCN3CCN(c4nsc5ccccc45)CC3)CC2)cc1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL292187 OBDepict F N H N N O Ki = 0.42 nM 375.45 Fc1ccc(-c2ccc(CN3CCN(c4cccc5ccoc45)CC3)[nH]2)cc1 Homo sapiens CHEMBL672308 single protein format
CHEMBL3966842 OBDepict H N H N H S O O S N N S Ki = 0.43 nM 490.72 O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1cccs1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL3905247 OBDepict O N H N H H H N N N S Ki = 0.43 nM 487.67 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1cc2ccccc2[nH]1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL3912435 OBDepict O HN N O N N O O Ki = 0.45 nM 438.53 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCO5)CC3)nc2N1 Homo sapiens CHEMBL3887359 single protein format
CHEMBL109787 OBDepict CH 3 N OH HN N O N + N O _ O Ki = 0.45 nM 487.56 CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)C1CCc2c(O)cccc2C1 Homo sapiens CHEMBL671034 tissue-based format
CHEMBL257097 OBDepict O N H NH F F N N O H 3 C CH 3 Ki = 0.46 nM 472.58 CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 Homo sapiens CHEMBL948052 single protein format
CHEMBL3983588 OBDepict O HN O N N O HN O Ki = 0.47 nM 450.54 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCC(=O)N5)CC3)cc2N1 Homo sapiens CHEMBL3887359 single protein format
CHEMBL3577346 OBDepict CH 3 N N N O O H 3 C N H O N H H 3 C HO Ki = 0.47 nM 591.8 CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1 Homo sapiens CHEMBL3578854 cell-based format
CHEMBL2028019 OBDepict O N N H CH 3 H 3 C H H N N Cl Cl Ki = 0.47 nM 427.42 CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1 Homo sapiens CHEMBL3295080 cell-based format
CHEMBL308345 OBDepict F N N N O N HO Ki = 0.47 nM 404.45 Oc1nc2cccc(N3CCN(Cc4cc(-c5ccc(F)cc5)ccn4)CC3)c2o1 Homo sapiens CHEMBL672308 single protein format
CHEMBL304902 OBDepict H 3 C N N N S Cl Ki = 0.49 nM 343.88 CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL3705566 cell-based format
CHEMBL157138 OBDepict H 3 C N N H O H 3 C H N CH 3 H N H Ki = 0.5 nM 338.46 CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL672313 single protein format
CHEMBL301559 OBDepict H 3 C N H H 3 C HO Ki = 0.5 nM 247.38 CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 Homo sapiens CHEMBL671651 cell-based format
CHEMBL4242392 OBDepict H N S N O O N N N S Ki = 0.5 nM 507.69 O=S(=O)(c1cccc2cnccc12)N1CCC[C@H]1CCN1CCN(c2nsc3ccccc23)CC1 Homo sapiens CHEMBL4229838 cell-based format
CHEMBL3896937 OBDepict O N H HN H N H N N N S Ki = 0.51 nM 464.64 O=C(Nc1cccnc1)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL3971907 OBDepict H 3 C N H 3 C NH O H H N N N S Ki = 0.51 nM 429.63 CCN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL3960785 OBDepict O N N H H 3 C CH 3 H H N N N S Ki = 0.53 nM 415.61 CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL1223856 OBDepict Cl Cl N N NH N Ki = 0.55 nM 455.43 Clc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1Cl Homo sapiens CHEMBL1225816 cell-based format
CHEMBL2204343 OBDepict F O N Si HO Cl Ki = 0.55 nM 391.95 O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL2208721 single protein format
CHEMBL4069091 OBDepict OH N N N N H O N N Cl Cl Ki = 0.57 nM 475.38 O=C(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccn2ncc(/C=NO)c2c1 Homo sapiens CHEMBL4010156 cell-based format
CHEMBL1257493 OBDepict O N H O N N O Ki = 0.575 nM 407.51 O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4COC5)CC3)cc21 Homo sapiens CHEMBL1260558 cell-based format
CHEMBL1257735 OBDepict O N H O N N O Ki = 0.576 nM 421.54 O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21 Homo sapiens CHEMBL1260558 cell-based format
CHEMBL3287405 OBDepict N N N O N N Cl Cl Ki = 0.58 nM 444.37 N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12 Homo sapiens CHEMBL3295080 cell-based format
CHEMBL217981 OBDepict CH 3 O N N NH O N N H 3 C N Br Ki = 0.58 nM 555.52 COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1 Homo sapiens CHEMBL3614290 cell-based format
CHEMBL1223800 OBDepict Cl Cl N N N H N Ki = 0.59 nM 455.43 Clc1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1Cl Homo sapiens CHEMBL1225816 cell-based format
CHEMBL80919 OBDepict O NH S H H N N Cl Cl Ki = 0.6 nM 466.48 O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1cccs1 Homo sapiens CHEMBL671651 cell-based format
CHEMBL3298828 OBDepict CH 3 O N Cl S H 3 C H 2 N N H O N Cl Ki = 0.6 nM 549.57 COc1nc2sc(C(=O)NCCCCCCN3CCC(c4ccc(Cl)cc4)CC3)c(N)c2c(C)c1Cl Homo sapiens CHEMBL3300162 cell-based format
CHEMBL1255588 OBDepict H N OH CH 3 H 3 C CH 3 H Ki = 0.6 nM 361.53 CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 Homo sapiens CHEMBL670395 single protein format
CHEMBL1223683 OBDepict Cl Cl N N N H N Ki = 0.6 nM 429.4 Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl Homo sapiens CHEMBL1225816 cell-based format
CHEMBL1259023 OBDepict H 3 C N N S N Ki = 0.62 nM 387.55 CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 Homo sapiens CHEMBL1261591 cell-based format
CHEMBL3265329 OBDepict F N H O H N CH 2 Ki = 0.63 nM 304.41 C=CCN1CCC[C@H]1CNC(=O)c1cccc(CCCF)c1 Homo sapiens CHEMBL3265956 cell-based format
CHEMBL4097330 OBDepict H 3 C N H O OH N N Ki = 0.63 nM 393.53 CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 Homo sapiens CHEMBL4010156 cell-based format
CHEMBL3918755 OBDepict O N H HN H H N N N S Ki = 0.63 nM 463.65 O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL1403281 OBDepict H 3 C CH 3 H N O N O HO O NH H H 3 C CH 3 O H N CH 3 H N H Ki = 0.65 nM 575.71 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 Homo sapiens CHEMBL1909140 cell membrane format
CHEMBL76402 OBDepict H 3 C N H HN O OH O Br CH 3 O CH 3 Ki = 0.65 nM 387.27 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC Homo sapiens CHEMBL941850 cell-based format
CHEMBL3286578 OBDepict H N N N Ki = 0.65 nM 379.51 c1ccc(-c2cccc(CN3CCN4c5cccc6[nH]cc(c56)CC4C3)c2)cc1 Homo sapiens CHEMBL3294601 cell-based format
CHEMBL300647 OBDepict Cl N H 3 C CH 3 Ki = 0.66 nM 335.88 CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 Homo sapiens CHEMBL670964 single protein format
CHEMBL2298827 OBDepict S N N H H O N N Ki = 0.67 nM 354.48 S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[nH]1 Homo sapiens CHEMBL3073105 single protein format
CHEMBL64249 OBDepict H 3 C N N S Cl Ki = 0.67 nM 344.91 CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL1261591 cell-based format
CHEMBL241169 OBDepict CH 2 N H N H O O I CH 3 O CH 3 Ki = 0.68 nM 430.29 C=CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC Homo sapiens CHEMBL941850 cell-based format
CHEMBL4865434 OBDepict H 3 C N H N H O OH O H 3 C Cl CH 3 Ki = 0.688 nM 354.88 CCCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Homo sapiens CHEMBL4828545 cell membrane format
CHEMBL403280 OBDepict O N H NH F F N N O H 3 C CH 3 Ki = 0.69 nM 472.58 CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 Homo sapiens CHEMBL948052 single protein format
CHEMBL4092243 OBDepict F N H N NH S O O Ki = 0.7 nM 463.58 O=S(=O)(NCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1 Homo sapiens CHEMBL4041093 cell-based format
CHEMBL3646150 OBDepict Cl S N N NH Ki = 0.7 nM 329.86 Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1S2 Homo sapiens CHEMBL3705566 cell-based format
CHEMBL4242858 OBDepict H N S N O O N N N S Ki = 0.7 nM 507.69 O=S(=O)(c1cccc2ncccc12)N1CCC[C@@H]1CCN1CCN(c2nsc3ccccc23)CC1 Homo sapiens CHEMBL4229838 cell-based format
CHEMBL1774079 OBDepict O HN N O N N O Ki = 0.71 nM 436.56 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1 Homo sapiens CHEMBL1776016 cell-based format
CHEMBL3982486 OBDepict H 3 C O NH O H H N N N S Ki = 0.71 nM 416.59 CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872755 cell-based format
CHEMBL3900752 OBDepict CH 3 N H 3 C NH O H 3 C CH 3 H H N N N S Ki = 0.72 nM 471.72 CC(C)N(C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)C(C)C Homo sapiens CHEMBL3872755 cell-based format
CHEMBL1259042 OBDepict H 3 C N N S N N Ki = 0.73 nM 388.54 CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 Homo sapiens CHEMBL1261591 cell-based format
CHEMBL1223857 OBDepict F F F N N N H N Ki = 0.76 nM 454.54 FC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1 Homo sapiens CHEMBL1225816 cell-based format
CHEMBL1223615 OBDepict CH 3 O N N N H N Ki = 0.8 nM 340.47 COc1ccccc1N1CCN(CCCCNc2ccccn2)CC1 Homo sapiens CHEMBL1225816 cell-based format
CHEMBL1108 OBDepict F O N N O N H Ki = 0.802 nM 379.44 O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL1909140 cell membrane format
CHEMBL1774080 OBDepict O NH N O N N Ki = 0.81 nM 430.55 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1 Homo sapiens CHEMBL1776016 cell-based format
CHEMBL1258087 OBDepict F N N O CH 3 O N H Ki = 0.812 nM 447.55 Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2 Homo sapiens CHEMBL1260558 cell-based format