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P21397 | AOFA_HUMAN | Amine oxidase [flavin-containing] A (MAOA)

3D structures mapped by conservation among orthologs

[ Domain: "FAD/NAD(P)-binding domain" // Amino_oxidase_1st ]

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[ Domain: "FAD-linked reductases-C" // Amino_oxidase_2nd_1 ]

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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
CHEMBL209413 OBDepict H 3 C O N O N F F F IC50 = 0.1 nM 356.3 COc1ccc2c(c1)-c1nnc(-c3cccc(C(F)(F)F)c3)cc1C2=O Homo sapiens CHEMBL862690 mitochondrion format
CHEMBL4104691 OBDepict CH 3 O N N N H O Cl Cl Ki = 0.48 nM 364.23 COCCn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 Homo sapiens CHEMBL4354287 cell-based format
CHEMBL3415804 OBDepict OH O O OH CH N CH 3 CH 2 O IC50 = 0.72 nM 265.26 C#CCN(C)CC(=C)c1ccoc1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL1651055 OBDepict CH 3 O O N IC50 = 0.83 nM 261.28 COc1cc2c3c(nccc3c1)-c1ccccc1C2=O Homo sapiens CHEMBL1920950 cell-based format
CHEMBL3415795 OBDepict CH 3 N CH 2 CH Br ClH IC50 = 0.85 nM 300.63 C#CCN(C)CC(=C)c1ccc(Br)cc1.Cl Homo sapiens CHEMBL3418527 cell-based format
CHEMBL4787184 OBDepict CH 3 O N N H O N O O Cl Ki = 1.0 nM 461.91 COc1ccccc1/C=C/C(=NNC(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccccc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4787516 OBDepict O N H N N O O Ki = 1.0 nM 397.43 O=C(Cn1c(=O)oc2ccccc21)N/N=C(C=Cc1ccccc1)c1ccccc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4762228 OBDepict CH 3 O N HN O Cl N O O Cl Ki = 1.0 nM 496.35 COc1ccccc1C(/C=C/c1ccccc1Cl)=N/NC(=O)Cn1c(=O)oc2ccc(Cl)cc21 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL3415817 OBDepict OH O O OH CH N CH 3 CH 2 Cl Cl IC50 = 1.0 nM 344.19 C#CCN(C)CC(=C)c1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL4757953 OBDepict H 3 C O N HN O Cl N O O Ki = 1.0 nM 461.91 COc1ccc(C(/C=C/c2ccccc2Cl)=N/NC(=O)Cn2c(=O)oc3ccccc32)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4748517 OBDepict CH 3 O N N O N Cl O O Ki = 1.0 nM 461.91 COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccccc43)C(c3ccccc3Cl)C2)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4761363 OBDepict CH 3 O N N H O N O O Ki = 1.0 nM 427.46 COc1cccc(/C=C/C(=NNC(=O)Cn2c(=O)oc3ccccc32)c2ccccc2)c1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL3415783 OBDepict OH O O OH CH N H 3 C H 2 C O F IC50 = 1.4 nM 399.42 C#CCN(C)CC(=C)c1cccc(COc2ccc(F)cc2)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL3415611 OBDepict OH O O OH CH HN CH 2 O F IC50 = 1.9 nM 385.39 C#CCNCC(=C)c1cccc(OCc2cccc(F)c2)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL293004 OBDepict CH 3 O N N O CH 3 OH Ki = 2.0 nM 310.35 COc1ccccc1C1CC(c2ccc(O)cc2)=NN1C(C)=O Homo sapiens CHEMBL730892 single protein format
CHEMBL3415816 OBDepict OH O O OH CH N CH 3 CH 2 F F IC50 = 2.3 nM 311.28 C#CCN(C)CC(=C)c1ccc(F)c(F)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL1258610 OBDepict O N N N N N CH 3 CH 3 IC50 = 2.7 nM 393.45 CN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1 Homo sapiens CHEMBL1261743 single protein format
CHEMBL1258839 OBDepict O N N N N IC50 = 2.7 nM 350.38 O=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccccc3)nnc12 Homo sapiens CHEMBL1261743 single protein format
CHEMBL1257814 OBDepict OH N CH 3 HN N N IC50 = 2.8 nM 368.44 C/C(=NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1 Homo sapiens CHEMBL1261743 single protein format
CHEMBL4161420 OBDepict S N H N H N H 3 C N N CH 3 N CH 3 S O O IC50 = 3.0 nM 516.65 Cc1ccc(NC(=S)N/N=C/c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)cc1 Homo sapiens CHEMBL4138635 single protein format
CHEMBL3415805 OBDepict CH N CH 3 CH 2 S ClH IC50 = 3.4 nM 227.76 C#CCN(C)CC(=C)c1cccs1.Cl Homo sapiens CHEMBL3418527 cell-based format
CHEMBL1257932 OBDepict OH N NH N N IC50 = 3.4 nM 354.41 Oc1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 Homo sapiens CHEMBL1261743 single protein format
CHEMBL1645547 OBDepict CH 3 N N H O F F F Ki = 3.6 nM 308.3 Cc1nccc2c1[nH]c1cc(OCCCC(F)(F)F)ccc12 Homo sapiens CHEMBL1648260 cell-based format
CHEMBL3415798 OBDepict CH 3 N CH 2 CH F ClH IC50 = 3.7 nM 239.72 C#CCN(C)CC(=C)c1ccc(F)cc1.Cl Homo sapiens CHEMBL3418527 cell-based format
CHEMBL488073 OBDepict CH 3 O O H 3 C O O IC50 = 3.78 nM 286.33 CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 Homo sapiens CHEMBL965566 single protein format
CHEMBL3415793 OBDepict OH O O OH CH 3 N CH 2 CH Cl IC50 = 3.9 nM 309.75 C#CCN(C)CC(=C)c1ccc(Cl)cc1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL1645545 OBDepict CH 3 H 3 C O N H CH 3 N Ki = 3.9 nM 254.33 Cc1nccc2c1[nH]c1cc(OCC(C)C)ccc12 Homo sapiens CHEMBL1648260 cell-based format
CHEMBL303112 OBDepict CH 3 O N N O H 3 C OH HO Ki = 4.0 nM 326.35 COc1ccccc1C1CC(c2ccc(O)cc2O)=NN1C(C)=O Homo sapiens CHEMBL730892 single protein format
CHEMBL4794193 OBDepict H 3 C N N O N O O Ki = 4.0 nM 411.46 Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL2437020 OBDepict H 3 C N N O O HO Ki = 4.0 nM 372.42 Cc1ccc(C2CC(c3ccccc3O)=NN2C(=O)Oc2ccccc2)cc1 Homo sapiens CHEMBL2438038 cell-based format
CHEMBL4788778 OBDepict CH 3 O N N O N O O Cl Ki = 4.0 nM 461.91 COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)C(c3ccccc3)C2)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4764828 OBDepict CH 3 O N HN O Cl N O O Ki = 4.0 nM 461.91 COc1ccccc1C(/C=C/c1ccccc1Cl)=N/NC(=O)Cn1c(=O)oc2ccccc21 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL8706 OBDepict CH N CH 3 O Cl Cl IC50 = 4.0 nM 272.18 C#CCN(C)CCCOc1ccc(Cl)cc1Cl Homo sapiens CHEMBL964041 cell-based format
CHEMBL3398530 OBDepict CH 3 O N Cl H N N IC50 = 4.0 nM 307.74 COc1ccc(-c2[nH]c3cc(C#N)c(C#N)cc3c2Cl)cc1 Homo sapiens CHEMBL3399616 single protein format
CHEMBL3415819 OBDepict OH O O OH CH N CH 3 CH 2 H 3 C Cl IC50 = 4.1 nM 323.78 C#CCN(C)CC(=C)c1ccc(Cl)c(C)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL1929421 OBDepict CH N H 3 C N CH 3 O N IC50 = 4.2 nM 443.64 C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Homo sapiens CHEMBL3129496 single protein format
CHEMBL1645548 OBDepict H 3 C N N H O Ki = 4.3 nM 294.4 Cc1nccc2c1[nH]c1cc(OCC3CCCCC3)ccc12 Homo sapiens CHEMBL1648260 cell-based format
CHEMBL4169527 OBDepict F F N S N H N N O Ki = 4.4 nM 400.45 Fc1ccc(-c2csc(N/N=C/c3ccc(N4CCOCC4)cc3)n2)c(F)c1 Homo sapiens CHEMBL4145984 single protein format
CHEMBL1645550 OBDepict H 3 C N N H O Ki = 5.0 nM 302.38 Cc1nccc2c1[nH]c1cc(OCCc3ccccc3)ccc12 Homo sapiens CHEMBL1648260 cell-based format
CHEMBL86304 OBDepict O N H N Cl O Ki = 5.0 nM 268.74 O=C(NCCN1CCOCC1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1798961 cell-based format
CHEMBL1645544 OBDepict H 2 C O N H CH 3 N Ki = 5.0 nM 238.29 C=CCOc1ccc2c(c1)[nH]c1c(C)nccc12 Homo sapiens CHEMBL1648260 cell-based format
CHEMBL4744188 OBDepict CH 3 O N N O N O O CH 3 Ki = 5.0 nM 441.49 COc1cccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccc(C)cc32)c1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL269538 OBDepict H 3 C O N H CH 3 N Ki = 5.0 nM 212.25 COc1ccc2c(c1)[nH]c1c(C)nccc12 Homo sapiens CHEMBL1074724 single protein format
CHEMBL3408913 OBDepict O N H N N H O O N CH 3 IC50 = 5.332 nM 426.48 Cc1ccc(C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1 Homo sapiens CHEMBL4826791 single protein format
CHEMBL4852596 OBDepict S NH N H N H O N O N IC50 = 5.413 nM 443.53 O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=S)Nc1ccccc1 Homo sapiens CHEMBL4826791 single protein format
CHEMBL3127967 OBDepict CH N H N CH 3 O N IC50 = 5.5 nM 429.61 C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Homo sapiens CHEMBL3129496 single protein format
CHEMBL463249 OBDepict Br N H N CH 3 O N HN H 3 C IC50 = 5.6 nM 333.19 CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O Homo sapiens CHEMBL2060936 single protein format
CHEMBL1257571 OBDepict Cl N N H N N IC50 = 5.8 nM 372.86 Clc1ccccc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1 Homo sapiens CHEMBL1261743 single protein format
CHEMBL3415802 OBDepict OH O O OH CH N CH 3 CH 2 O IC50 = 6.0 nM 381.43 C#CCN(C)CC(=C)c1cccc(OCc2ccccc2)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL1258954 OBDepict Cl N N N N IC50 = 6.1 nM 370.84 Clc1ccccc1-c1nnc2c(Cc3ccccc3)nc3ccccc3n12 Homo sapiens CHEMBL1261743 single protein format
CHEMBL1258500 OBDepict CH 3 O N N N N O IC50 = 6.2 nM 380.41 COc1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1 Homo sapiens CHEMBL1261743 single protein format
CHEMBL1257340 OBDepict N NH N N O O IC50 = 6.3 nM 382.42 C(=N/Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL1261743 single protein format
CHEMBL3407581 OBDepict HC N CH 3 N H 3 C O N H 3 C IC50 = 6.3 nM 457.66 C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C Homo sapiens CHEMBL3413433 cell-based format
CHEMBL3415786 OBDepict OH O O HO CH HN CH 2 O IC50 = 6.3 nM 367.4 C#CCNCC(=C)c1cccc(COc2ccccc2)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL3415820 OBDepict OH O O OH CH N CH 3 CH 2 Cl F IC50 = 6.3 nM 327.74 C#CCN(C)CC(=C)c1ccc(F)c(Cl)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL4172923 OBDepict F N S N H N N O Ki = 6.6 nM 382.46 Fc1ccc(-c2csc(N/N=C/c3ccc(N4CCOCC4)cc3)n2)cc1 Homo sapiens CHEMBL4145984 single protein format
CHEMBL3415780 OBDepict OH O O HO CH N CH 3 CH 2 O O H 3 C IC50 = 6.6 nM 411.45 C#CCN(C)CC(=C)c1cccc(OCc2cccc(OC)c2)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL2204752 OBDepict N O N Br IC50 = 6.6 nM 313.15 N#Cc1ccc(OCc2ccc(Br)cc2)cc1C#N Homo sapiens CHEMBL3399616 single protein format
CHEMBL1258955 OBDepict CH 3 O O CH 3 N N N N O IC50 = 6.8 nM 410.43 COc1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1OC Homo sapiens CHEMBL1261743 single protein format
CHEMBL488916 OBDepict O O CH 3 O CH 3 O IC50 = 7.16 nM 272.3 Cc1cc(=O)oc2c(C)c(OC3CCCC3=O)ccc12 Homo sapiens CHEMBL965566 single protein format
CHEMBL3415615 OBDepict OH O O OH CH N CH 3 CH 2 N H IC50 = 7.4 nM 380.44 C#CCN(C)CC(=C)c1cccc(CNc2ccccc2)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL3415797 OBDepict OH O O OH CH N H 3 C H 2 C F IC50 = 7.6 nM 293.29 C#CCN(C)CC(=C)c1cccc(F)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL4740141 OBDepict CH 3 O N N O N O O Ki = 8.0 nM 427.46 COc1cccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)c1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4778941 OBDepict CH 3 N N O N O O CH 3 Ki = 8.0 nM 425.49 Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccc(C)cc32)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL304241 OBDepict HO N N O H 3 C CH 3 IC50 = 8.0 nM 294.35 CC(=O)N1N=C(c2ccc(O)cc2)CC1c1cccc(C)c1 Homo sapiens CHEMBL730891 single protein format
CHEMBL303112 OBDepict CH 3 O N N O H 3 C OH HO IC50 = 8.0 nM 326.35 COc1ccccc1C1CC(c2ccc(O)cc2O)=NN1C(C)=O Homo sapiens CHEMBL730891 single protein format
CHEMBL63223 OBDepict HO N N O H 3 C Cl IC50 = 8.6 nM 314.77 CC(=O)N1N=C(c2ccc(O)cc2)CC1c1ccccc1Cl Homo sapiens CHEMBL730891 single protein format
CHEMBL293004 OBDepict CH 3 O N N O CH 3 OH IC50 = 8.8 nM 310.35 COc1ccccc1C1CC(c2ccc(O)cc2)=NN1C(C)=O Homo sapiens CHEMBL730891 single protein format
CHEMBL1258274 OBDepict _ O + N O N N H N N IC50 = 8.8 nM 383.41 O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 Homo sapiens CHEMBL1261743 single protein format
CHEMBL4783604 OBDepict H 3 C O O H 3 C N N O N O O Ki = 9.0 nM 457.49 COc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)cc1OC Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4763998 OBDepict H 3 C O O H 3 C N N O N O O O H 3 C CH 3 Ki = 9.0 nM 501.54 COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(c3cccc(OC)c3OC)C2)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL291647 OBDepict CH 3 O N N O H 3 C OH HO IC50 = 9.0 nM 326.35 COc1ccc(C2CC(c3ccc(O)cc3O)=NN2C(C)=O)cc1 Homo sapiens CHEMBL730891 single protein format
CHEMBL65761 OBDepict CH 3 O N N O H 3 C HO IC50 = 9.0 nM 310.35 COc1ccc(C2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1 Homo sapiens CHEMBL730891 single protein format
CHEMBL3415785 OBDepict OH O O OH CH N CH 3 CH 2 O O H 3 C IC50 = 9.0 nM 411.45 C#CCN(C)CC(=C)c1cccc(COc2ccc(OC)cc2)c1.O=C(O)C(=O)O Homo sapiens CHEMBL3418527 cell-based format
CHEMBL62743 OBDepict CH 3 N N O CH 3 OH HO IC50 = 9.0 nM 310.35 CC(=O)N1N=C(c2ccc(O)cc2O)CC1c1ccc(C)cc1 Homo sapiens CHEMBL730891 single protein format
CHEMBL1258611 OBDepict O N N N N Br N H 3 C H 3 C IC50 = 9.6 nM 472.35 CN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1Br Homo sapiens CHEMBL1261743 single protein format
CHEMBL3121784 OBDepict CH O O O O O H 3 C IC50 = 9.64 nM 300.31 C#CCCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1 Homo sapiens CHEMBL3122615 cell-based format
CHEMBL1258160 OBDepict NH 2 N CH 3 HN N N IC50 = 9.8 nM 367.46 C/C(=NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1 Homo sapiens CHEMBL1261743 single protein format
CHEMBL1258275 OBDepict Br N N H N N IC50 = 9.8 nM 417.31 Brc1cccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)c1 Homo sapiens CHEMBL1261743 single protein format
CHEMBL4753849 OBDepict CH 3 O N N H O O N CH 3 O CH 3 O O Cl Ki = 10.0 nM 521.96 COc1ccc(C(/C=C/c2cccc(OC)c2OC)=N/NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL3310025 OBDepict Cl N N H O S N H 3 C N CH 3 Ki = 10.0 nM 396.9 Cc1cccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)c1 Homo sapiens CHEMBL3379837 cell-based format
CHEMBL3310028 OBDepict HO N N H O S N CH 3 N CH 3 Ki = 10.0 nM 378.46 Cc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(O)cc2)cc1 Homo sapiens CHEMBL3379837 cell-based format
CHEMBL66225 OBDepict CH 3 S O O O Ki = 10.0 nM 260.31 CCc1cccc2c1S(=O)(=O)c1ccccc1O2 Homo sapiens CHEMBL732562 single protein format
CHEMBL4169343 OBDepict S N H N H N CH 3 N N CH 3 N CH 3 S O O IC50 = 10.0 nM 516.65 Cc1ccccc1NC(=S)N/N=C/c1ccc(-n2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)cc1 Homo sapiens CHEMBL4138635 single protein format
CHEMBL4174892 OBDepict S N H N H N H 3 C CH 3 N N H 3 C N CH 3 S O O IC50 = 10.0 nM 530.68 Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(-n2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)cc1 Homo sapiens CHEMBL4138635 single protein format
CHEMBL303594 OBDepict HO N N O H 3 C Cl IC50 = 10.0 nM 314.77 CC(=O)N1N=C(c2ccc(O)cc2)CC1c1cccc(Cl)c1 Homo sapiens CHEMBL730891 single protein format
CHEMBL65252 OBDepict CH 3 O O N CH 3 N O H 3 C HO IC50 = 10.0 nM 340.38 COc1ccc(C2CC(c3ccc(O)cc3)=NN2C(C)=O)c(OC)c1 Homo sapiens CHEMBL730891 single protein format
CHEMBL418480 OBDepict Cl N N O CH 3 OH HO IC50 = 10.0 nM 330.77 CC(=O)N1N=C(c2ccc(O)cc2O)CC1c1ccc(Cl)cc1 Homo sapiens CHEMBL730891 single protein format
CHEMBL4871376 OBDepict NH 2 HN S HN O N O N IC50 = 10.48 nM 367.43 NC(=S)NNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21 Homo sapiens CHEMBL4826791 single protein format
CHEMBL145451 OBDepict _ O + N O S O O O O CH 3 O CH 3 IC50 = 10.7 nM 375.36 Cc1c(C)c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2oc1=O Homo sapiens CHEMBL3117969 single protein format
CHEMBL4740937 OBDepict CH 3 O N N O N O O Ki = 11.0 nM 427.46 COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccccc43)C(c3ccccc3)C2)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4741789 OBDepict CH 3 O N N O N Cl O O H 3 C Ki = 11.0 nM 475.93 COc1cccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(c3ccccc3Cl)C2)c1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4751649 OBDepict CH 3 O N HN O Cl N O O CH 3 Ki = 11.0 nM 475.93 COc1ccccc1C(/C=C/c1ccccc1Cl)=N/NC(=O)Cn1c(=O)oc2ccc(C)cc21 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL4169527 OBDepict F F N S N H N N O IC50 = 11.0 nM 400.45 Fc1ccc(-c2csc(N/N=C/c3ccc(N4CCOCC4)cc3)n2)c(F)c1 Homo sapiens CHEMBL4145981 single protein format
CHEMBL4862110 OBDepict CH 3 O N H O N H O N O N IC50 = 11.95 nM 380.4 CCOC(=O)NNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21 Homo sapiens CHEMBL4826791 single protein format
CHEMBL3310005 OBDepict H 3 C H N N O HO Cl Ki = 12.0 nM 390.87 Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1 Homo sapiens CHEMBL3379837 cell-based format
CHEMBL4781759 OBDepict H 3 C O N HN O N O O CH 3 Ki = 12.0 nM 441.49 COc1ccc(C(/C=C/c2ccccc2)=N/NC(=O)Cn2c(=O)oc3ccc(C)cc32)cc1 Homo sapiens CHEMBL4713917 cell-based format
CHEMBL3310026 OBDepict H 3 C O N NH O Cl S N H 3 C N Ki = 12.0 nM 412.9 COc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL3379837 cell-based format
CHEMBL8706 OBDepict CH N CH 3 O Cl Cl Ki = 12.0 nM 272.18 C#CCN(C)CCCOc1ccc(Cl)cc1Cl Homo sapiens CHEMBL3088576 cell-based format
CHEMBL3310024 OBDepict Cl N N H O S N CH 3 N CH 3 Ki = 12.0 nM 396.9 Cc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL3379837 cell-based format