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P18825 | ADA2C_HUMAN | Alpha-2C adrenergic receptor (ADRA2C)

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
CHEMBL390718 OBDepict H 3 C O O CH 3 N H N O N N H 3 C Ki = 0.1 nM 462.59 COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 Homo sapiens CHEMBL905524 cell-based format
CHEMBL91157 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C Ki = 0.2 nM 463.58 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL93171 OBDepict H 3 C O O CH 3 O N O N N H 3 C Ki = 0.2 nM 463.58 COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL263424 OBDepict CH 3 O O H 3 C O N O H H N N CH 3 F Ki = 0.2 nM 481.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL100879 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C S Ki = 0.2 nM 469.61 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4cccs4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL419316 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 Ki = 0.2 nM 463.58 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccccc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL98646 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C S Ki = 0.2 nM 469.61 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL101596 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C S Ki = 0.2 nM 469.61 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL319119 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C F F Ki = 0.2 nM 499.56 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL328195 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C S Ki = 0.3 nM 469.61 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccsc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL98541 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 F Ki = 0.3 nM 481.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccc(F)cc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL319530 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C O Ki = 0.4 nM 453.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccco4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL99868 OBDepict H 3 C O O H 3 C O N O H H N N CH 3 O CH 3 Ki = 0.4 nM 493.6 COc1ccccc1/C=C(C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 Homo sapiens CHEMBL648702 single protein format
CHEMBL99916 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C O Ki = 0.5 nM 453.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL477608 OBDepict O N H N N H N H 3 C CH 3 H 3 C N O O Ki = 0.5 nM 467.61 CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL329065 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 HO Ki = 0.6 nM 479.58 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccc(O)cc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL327875 OBDepict CH 3 O O H 3 C O N O N N CH 3 Ki = 0.6 nM 463.58 COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(C)c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL476569 OBDepict CH 3 O N N H O N N O O Ki = 0.6 nM 468.6 CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL157138 OBDepict H 3 C N N H O H 3 C H N CH 3 H N H Ki = 0.626 nM 338.46 CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909090 cell membrane format
CHEMBL196451 OBDepict O O NH O H H HO H H N N H Ki = 0.65 nM 515.65 O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 Homo sapiens CHEMBL829301 cell-based format
CHEMBL318235 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C F Ki = 0.7 nM 481.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL419336 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C F F Ki = 0.7 nM 499.56 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL95218 OBDepict H 3 C O O CH 3 O N O H H N N F Ki = 0.7 nM 467.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL514837 OBDepict CH 3 O N N H O N N O O Ki = 0.8 nM 468.6 CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL515331 OBDepict N O N NH O N N O O Ki = 0.8 nM 513.6 N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL25554 OBDepict H 3 C O O O CH 3 N H O O Ki = 0.8 nM 345.4 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Homo sapiens CHEMBL648703 single protein format
CHEMBL394218 OBDepict CH 3 O O N N H O N O O H 3 C CH 3 Ki = 0.8 nM 505.62 COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 Homo sapiens CHEMBL903400 cell-based format
CHEMBL328631 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 F F Ki = 0.8 nM 499.56 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL524153 OBDepict O N H N O N N H O O Ki = 0.9 nM 488.59 O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL101361 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 O CH 3 Ki = 0.9 nM 493.6 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccccc4OC)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL10347 OBDepict H 3 C O O H H OH H H H N N H Ki = 1.0 nM 354.45 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 Homo sapiens CHEMBL648623 cell-based format
CHEMBL369938 OBDepict O O N H HN O H H OH H H N N H Ki = 1.1 nM 530.67 O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 Homo sapiens CHEMBL829301 cell-based format
CHEMBL1732 OBDepict H N H N H CH 3 H HN O CH 3 O O N OH H N H O Ki = 1.51 nM 583.69 CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 Homo sapiens CHEMBL1909090 cell membrane format
CHEMBL90943 OBDepict N N O N O Ki = 1.7 nM 389.5 C(=C/c1ccccc1)CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 Homo sapiens CHEMBL648625 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 = 1.809 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 CHEMBL1909090 cell membrane format
CHEMBL90247 OBDepict CH 3 O O N O N N Ki = 1.9 nM 419.53 COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 Homo sapiens CHEMBL648625 single protein format
CHEMBL90419 OBDepict H 3 C O O CH 3 O N O N N Ki = 1.9 nM 451.57 COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL3290012 OBDepict F O N N HN S O O S Ki = 1.9 nM 487.62 O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 Homo sapiens CHEMBL3297340 cell-based format
CHEMBL491420 OBDepict O N N N O N N O O Ki = 1.9 nM 499.57 c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL537669 OBDepict H 3 C O O H H OH H H H N N H ClH Ki = 1.9 nM 390.91 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl Homo sapiens CHEMBL903400 cell-based format
CHEMBL217299 OBDepict OH OH O N H Ki = 2.0 nM 269.3 Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 Homo sapiens CHEMBL912422 single protein format
CHEMBL98889 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C N Ki = 2.1 nM 464.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL268258 OBDepict CH 3 O H N H 3 C O Ki = 2.1 nM 349.47 COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 Homo sapiens CHEMBL648625 single protein format
CHEMBL422597 OBDepict H 3 C O O N O N N Ki = 2.3 nM 419.53 COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL15245 OBDepict H 3 C O O H H OH H H H N N H Ki = 2.3 nM 354.45 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 Homo sapiens CHEMBL648623 cell-based format
CHEMBL425983 OBDepict CH 3 N CH 3 N H N N Ki = 2.3 nM 386.54 Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C Homo sapiens CHEMBL907694 cell-based format
CHEMBL1627 OBDepict CH 3 NH O N HO Cl Ki = 2.4 nM 463.02 CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1025631 single protein format
CHEMBL1385840 OBDepict H N H N CH 3 H NH O O H 3 C CH 3 O N HO H N H CH 3 H 3 C O Ki = 2.409 nM 561.68 CC(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 CHEMBL1909090 cell membrane format
CHEMBL491419 OBDepict O N O N N O O Ki = 2.5 nM 475.59 c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL319573 OBDepict H 3 C O O CH 3 O N O H H N N F Ki = 2.8 nM 467.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL196064 OBDepict O O HN CH 3 CH 3 H 3 C N H O H H OH H H N N H Ki = 2.8 nM 496.65 CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O Homo sapiens CHEMBL829301 cell-based format
CHEMBL42 OBDepict H 3 C N N N NH Cl Ki = 2.9 nM 326.83 CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 Homo sapiens CHEMBL828757 single protein format
CHEMBL478026 OBDepict O N H N O N N O O Ki = 3.0 nM 474.56 O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL195925 OBDepict HO O N H O H H OH H H N N H Ki = 3.0 nM 425.53 O=C(O)CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O Homo sapiens CHEMBL829301 cell-based format
CHEMBL94129 OBDepict H 3 C O O CH 3 O N O N N Ki = 3.1 nM 473.57 COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL85 OBDepict F O N N CH 3 N O N Ki = 3.2 nM 410.49 Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2 Homo sapiens CHEMBL828757 single protein format
CHEMBL247665 OBDepict H 3 C O O N N O N O O CH 3 CH 3 Ki = 3.5 nM 533.67 COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 Homo sapiens CHEMBL903400 cell-based format
CHEMBL6437 OBDepict CH 3 N N Ki = 3.8 nM 264.37 CN1CCN2c3ccccc3Cc3ccccc3C2C1 Homo sapiens CHEMBL828757 single protein format
CHEMBL218675 OBDepict OH CH 3 N N H N N H 3 C H 3 C H 3 C Ki = 3.8 nM 390.53 Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO Homo sapiens CHEMBL907694 cell-based format
CHEMBL362954 OBDepict CH 3 O N N H N H N CH 3 Ki = 3.8 nM 296.37 COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 Homo sapiens CHEMBL884798 cell-based format
CHEMBL247664 OBDepict CH 3 O O N N H O H 2 N H 3 C CH 3 O O H 3 C H 3 C Ki = 4.2 nM 467.57 COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 Homo sapiens CHEMBL903400 cell-based format
CHEMBL157138 OBDepict H 3 C N N H O H 3 C H N CH 3 H N H IC50 = 4.308 nM 338.46 CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909090 cell membrane format
CHEMBL1085510 OBDepict CH 3 N N H O N N Ki = 4.5 nM 402.54 CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL1119142 single protein format
CHEMBL328377 OBDepict CH 3 O O CH 3 O N O N N Ki = 4.7 nM 461.56 COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL217253 OBDepict H 3 C N H 3 C N N H OH H 3 C CH 3 N Ki = 4.9 nM 390.53 Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O Homo sapiens CHEMBL907694 cell-based format
CHEMBL217203 OBDepict CH 3 N CH 3 N N H CH 3 H 3 C N H 3 C CH 3 Ki = 5.0 nM 388.56 Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C Homo sapiens CHEMBL907694 cell-based format
CHEMBL218457 OBDepict H 3 C N CH 3 N NH CH 3 N Ki = 5.0 nM 422.58 Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL907694 cell-based format
CHEMBL477816 OBDepict O N H N O N N O O Ki = 5.0 nM 488.59 O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL123325 OBDepict H 3 C O O O H H H CH 3 H N N H Ki = 5.0 nM 352.43 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Homo sapiens CHEMBL648623 cell-based format
CHEMBL193458 OBDepict CH 3 O O N H O N H O H H OH H H N N H Ki = 5.2 nM 468.55 COC(=O)CNC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O Homo sapiens CHEMBL829301 cell-based format
CHEMBL328735 OBDepict CH 3 O O H 3 C O N O N N O Ki = 5.3 nM 465.55 COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL218679 OBDepict H 3 C N H 3 C CH 3 N N H CH 3 N Ki = 5.4 nM 360.51 Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 Homo sapiens CHEMBL907694 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 = 5.484 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 CHEMBL1909090 cell membrane format
CHEMBL216464 OBDepict OH N N H Cl N N H 3 C CH 3 CH 3 Ki = 5.9 nM 410.95 CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C Homo sapiens CHEMBL907694 cell-based format
CHEMBL328114 OBDepict H 3 C O O CH 3 O N O H H N N Ki = 6.2 nM 449.55 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL93489 OBDepict H 3 C O O CH 3 O N O N N Ki = 6.2 nM 449.55 COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL268217 OBDepict OH N N H N N H 3 C CH 3 CH 3 Ki = 6.4 nM 376.5 CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C Homo sapiens CHEMBL907694 cell-based format
CHEMBL1909072 OBDepict Cl N S N O NH 2 Ki = 6.468 nM 401.96 NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL1909090 cell membrane format
CHEMBL217177 OBDepict H 3 C N H 3 C N N H H 3 C CH 3 N CH 3 Ki = 6.9 nM 374.53 Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C Homo sapiens CHEMBL907694 cell-based format
CHEMBL214996 OBDepict OH CH 3 N N H N N H 3 C H 3 C Ki = 7.5 nM 376.5 Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO Homo sapiens CHEMBL907694 cell-based format
CHEMBL217567 OBDepict CH 3 N H CH 3 N N H CH 3 H 3 C N H 3 C CH 3 Ki = 7.7 nM 388.56 Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C Homo sapiens CHEMBL907694 cell-based format
CHEMBL42 OBDepict H 3 C N N N NH Cl IC50 = 7.875 nM 326.83 CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 Homo sapiens CHEMBL1909090 cell membrane format
CHEMBL836 OBDepict CH 3 O O N H CH 3 H S O O O NH 2 H 3 C Ki = 7.9 nM 408.52 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL648618 single protein format
CHEMBL370005 OBDepict H 3 C O O N H O H H OH H H N N H Ki = 8.0 nM 411.5 COC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O Homo sapiens CHEMBL829301 cell-based format
CHEMBL392991 OBDepict CH 3 O O CH 3 N O O CH 3 O Ki = 8.0 nM 419.48 COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 Homo sapiens CHEMBL903400 cell-based format
CHEMBL383978 OBDepict H 3 C N H H 3 C N N H CH 3 CH 3 N CH 3 Ki = 8.3 nM 374.53 Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 Homo sapiens CHEMBL907694 cell-based format
CHEMBL1689423 OBDepict H 3 C N H 3 C N N H H 3 C CH 3 N Cl Ki = 8.3 nM 394.95 Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C Homo sapiens CHEMBL907694 cell-based format
CHEMBL597 OBDepict CH 3 N N H N HO Ki = 8.4 nM 281.36 Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 Homo sapiens CHEMBL648703 single protein format
CHEMBL217202 OBDepict H 3 C N CH 3 N N H CH 3 N Ki = 8.5 nM 346.48 Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 Homo sapiens CHEMBL907694 cell-based format
CHEMBL386169 OBDepict CH 3 CH 3 N N H CH 3 N N H 3 C Ki = 8.5 nM 388.56 CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 Homo sapiens CHEMBL907694 cell-based format
CHEMBL629 OBDepict CH 3 N CH 3 Ki = 8.599 nM 277.41 CN(C)CCC=C1c2ccccc2CCc2ccccc21 Homo sapiens CHEMBL1909090 cell membrane format
CHEMBL298936 OBDepict CH 3 N H NH O N H N Ki = 8.9 nM 232.29 Cc1c(NC2=NCCN2)ccc2c1NCCO2 Homo sapiens CHEMBL648624 cell-based format
CHEMBL217254 OBDepict OH N CH 3 N H N N H H 3 C H 3 C Ki = 9.0 nM 376.5 Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 Homo sapiens CHEMBL907694 cell-based format
CHEMBL217542 OBDepict OH N N H N N H CH 3 CH 3 Ki = 9.2 nM 362.48 C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C Homo sapiens CHEMBL907694 cell-based format
CHEMBL488974 OBDepict O N H N O N N H O O Ki = 9.2 nM 488.59 O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 Homo sapiens CHEMBL983547 cell-based format
CHEMBL392771 OBDepict H 3 C O O H 3 C N O O H 3 C HN O N H 3 C CH 3 Ki = 9.4 nM 543.66 COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 Homo sapiens CHEMBL903400 cell-based format
CHEMBL428407 OBDepict CH 3 O O N N H O N CH 3 H 3 C O O CH 3 CH 3 Ki = 9.4 nM 467.57 COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 Homo sapiens CHEMBL903400 cell-based format
CHEMBL420830 OBDepict H 3 C O O CH 3 O N O H H N N Ki = 9.5 nM 449.55 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=Cc4ccccc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648702 single protein format
CHEMBL92860 OBDepict H 3 C O O CH 3 O N O H H N N Ki = 9.5 nM 473.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL648625 single protein format
CHEMBL85 OBDepict F O N N CH 3 N O N IC50 = 9.557 nM 410.49 Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2 Homo sapiens CHEMBL1909090 cell membrane format