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O60341 | KDM1A_HUMAN | Lysine-specific histone demethylase 1A (KDM1A)

3D structures mapped by conservation among orthologs

[ Domain: "tri-helical" // SWIRM ]

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

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[ Domain: "FAD-linked reductases-C" // Amino_oxidase_2nd ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4798849 OBDepict O HN N H 3 C N O HN IC50 = 0.05 nM 494.64 Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4762799 OBDepict F N HN O N O HN IC50 = 0.06 nM 526.66 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CCF Homo sapiens CHEMBL4686623 single protein format
CHEMBL4785635 OBDepict H 3 C O O N H O N CH 3 O S H N H IC50 = 0.1 nM 519.67 CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@H]2CCNC2)cc1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4639944 OBDepict H 3 C N N N S O HN IC50 = 0.1 nM 474.67 Cn1c(-c2nc(C3CCC3)cn2CCCc2ccc(OC3CCNCC3)cc2)cc2sccc21 Homo sapiens CHEMBL4615777 assay format
CHEMBL4632810 OBDepict H 3 C N N N O H 3 C S O N H IC50 = 0.13 nM 478.66 CCCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4639941 OBDepict H 3 C N N N H 3 C S O N H IC50 = 0.13 nM 476.69 CCCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4641768 OBDepict H 3 C N N N H 3 C S O HN IC50 = 0.14 nM 476.69 CCCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4776338 OBDepict Cl N HN O N O HN IC50 = 0.15 nM 543.11 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CCCl Homo sapiens CHEMBL4686623 single protein format
CHEMBL4776575 OBDepict H 3 C N HN O N O HN IC50 = 0.15 nM 508.67 CCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4642214 OBDepict H 3 C N N N S O N H IC50 = 0.16 nM 488.7 Cn1c(-c2nc(C3CCC3)cn2CCCc2ccc(OC3CCCNCC3)cc2)cc2sccc21 Homo sapiens CHEMBL4615777 assay format
CHEMBL4635889 OBDepict H 3 C N N N H 3 C S O HN IC50 = 0.17 nM 462.66 CCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4759347 OBDepict O HN N H 3 C CH 3 N O HN IC50 = 0.18 nM 522.69 CC(C)n1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4649085 OBDepict H 3 C N N N H 3 C S O N H IC50 = 0.18 nM 462.66 CCCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4639413 OBDepict H 3 C N N N S O O HN IC50 = 0.19 nM 476.65 Cn1c(-c2nc(C3CCC3)cn2CCOc2ccc(OC3CCNCC3)cc2)cc2sccc21 Homo sapiens CHEMBL4615777 assay format
CHEMBL4649563 OBDepict H 3 C N N N O H 3 C S O N H IC50 = 0.2 nM 464.64 CCCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4645937 OBDepict H 3 C N N N S O O N H IC50 = 0.21 nM 490.67 Cn1c(-c2nc(C3CCC3)cn2CCOc2ccc(OC3CCCNCC3)cc2)cc2sccc21 Homo sapiens CHEMBL4615777 assay format
CHEMBL4634153 OBDepict H 3 C N N N S O NH IC50 = 0.25 nM 488.7 Cn1c(-c2nc(C3CCC3)cn2CCCc2ccc(OCC3CCNCC3)cc2)cc2sccc21 Homo sapiens CHEMBL4615777 assay format
CHEMBL4642738 OBDepict H 3 C N N N H 3 C S O HN IC50 = 0.27 nM 448.64 CCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4637660 OBDepict H 3 C N N N H 3 C S O N H IC50 = 0.28 nM 448.64 CCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4636234 OBDepict H 3 C N N N H 3 C S O HN IC50 = 0.3 nM 462.66 CCCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4638582 OBDepict H 3 C N N N H 3 C S O N H IC50 = 0.34 nM 462.66 CCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4645131 OBDepict H 3 C N N N O H 3 C S O HN IC50 = 0.34 nM 464.64 CCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4641915 OBDepict H 3 C N S N N O N H IC50 = 0.38 nM 474.67 Cn1c(-c2nc(C3CCC3)cn2CCCc2ccc(OCC3CCNC3)cc2)cc2sccc21 Homo sapiens CHEMBL4615777 assay format
CHEMBL4790522 OBDepict O HN N F F N O HN IC50 = 0.39 nM 530.62 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1C(F)F Homo sapiens CHEMBL4686623 single protein format
CHEMBL4782462 OBDepict O HN O N O HN IC50 = 0.53 nM 481.6 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2o1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4784229 OBDepict O HN N N H O HN IC50 = 0.54 nM 480.61 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cccc2[nH]ccc12 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4742730 OBDepict F N H 3 C HN O N O HN IC50 = 0.54 nM 512.63 Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2cc(F)ccc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4640188 OBDepict H 3 C N N N O H 3 C S O HN IC50 = 0.6 nM 450.61 CCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(-c2cc3sccc3n2C)n1 Homo sapiens CHEMBL4615777 assay format
CHEMBL4444902 OBDepict N F N N CH 3 N O N Cl N H NH H 3 C H 3 C IC50 = 0.7 nM 491.96 CN[C@H]1CCN(C(=O)c2nc(-c3ccc(C#N)c(F)c3)n(-c3ccc4nn(C)c(Cl)c4c3)c2C)C1 Homo sapiens CHEMBL4310493 single protein format
CHEMBL4764392 OBDepict F F N NH O N O NH IC50 = 0.78 nM 544.65 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CC(F)F Homo sapiens CHEMBL4686623 single protein format
CHEMBL4750078 OBDepict O HN N S N O HN IC50 = 0.92 nM 498.65 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1nc2ccccc2s1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4746700 OBDepict O HN S N O HN IC50 = 0.93 nM 497.66 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2s1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4761649 OBDepict O NH N N CH 3 N O NH IC50 = 0.97 nM 495.63 Cn1nc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4522607 OBDepict N F N N CH 3 N O N Cl N H N H H 3 C CH 3 IC50 = 1.0 nM 505.99 CN[C@@H]1CCCN(C(=O)c2nc(-c3ccc(C#N)c(F)c3)n(-c3ccc4nn(C)c(Cl)c4c3)c2C)C1 Homo sapiens CHEMBL4310493 single protein format
CHEMBL4855475 OBDepict F N H IC50 = 1.1 nM 267.35 Fc1ccccc1CNC1CC12CCc1ccccc12 Homo sapiens CHEMBL4814440 single protein format
CHEMBL4745752 OBDepict Cl N CH 3 NH O N O NH IC50 = 1.13 nM 529.08 Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccc(Cl)cc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4436953 OBDepict O N H N S N O O O HO IC50 = 1.4 nM 415.47 O=C(N/N=C1CCc2cccc(O)c21)c1cccc(S(=O)(=O)N2CCOCC2)c1 Homo sapiens CHEMBL4432426 single protein format
CHEMBL4751061 OBDepict CH 3 N HN O N O HN IC50 = 1.52 nM 522.69 CCCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4763328 OBDepict O HN N CH 3 N O HN IC50 = 1.56 nM 456.59 Cc1ccncc1C(=O)Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4454677 OBDepict O N H N S N O O O HO Cl IC50 = 1.7 nM 449.92 O=C(N/N=C1CCc2c(Cl)ccc(O)c21)c1cccc(S(=O)(=O)N2CCOCC2)c1 Homo sapiens CHEMBL4432426 single protein format
CHEMBL4637906 OBDepict HO NH H H N H H H H 3 C IC50 < 1.8 nM 328.5 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1N[C@H]1CC[C@H](NCCO)CC1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4791689 OBDepict O HN N F F F O HN IC50 = 1.82 nM 509.57 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4451607 OBDepict N F N N CH 3 N O N Cl N H NH 2 H 3 C IC50 = 2.0 nM 491.96 Cc1c(C(=O)N2CCC[C@@H](N)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)c(Cl)c2c1 Homo sapiens CHEMBL4310493 single protein format
CHEMBL4789904 OBDepict OH HN O N N H H H Cl IC50 = 2.0 nM 518.1 O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1 Homo sapiens CHEMBL4724378 single protein format
CHEMBL4861378 OBDepict H 3 C O N H IC50 = 2.2 nM 279.38 COc1ccccc1CNC1CC12CCc1ccccc12 Homo sapiens CHEMBL4814440 single protein format
CHEMBL4170367 OBDepict H N H H H H 2 N H H ClH IC50 = 2.2 nM 278.83 Cl.N[C@H]1CC[C@H](N[C@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 Homo sapiens CHEMBL4135161 cell-based format
CHEMBL4549707 OBDepict CH 3 N N S O O N H O N OH IC50 = 2.3 nM 442.54 CN1CCCN(S(=O)(=O)c2cccc(C(=O)N/N=C3CCc4cccc(O)c43)c2)CC1 Homo sapiens CHEMBL4432426 single protein format
CHEMBL4756177 OBDepict O HN N N H N O HN IC50 = 2.31 nM 481.6 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1nc2ccccc2[nH]1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4646795 OBDepict HO NH H H N H H H H 3 C IC50 = 2.6 nM 314.47 C/C(=Cc1ccccc1)[C@@H]1C[C@H]1N[C@H]1CC[C@H](NCCO)CC1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4637061 OBDepict OH N N H H H H 3 C IC50 < 2.6 nM 314.47 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CCN(CCO)CC1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4754970 OBDepict O NH N N O NH IC50 = 2.65 nM 534.7 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CC1CC1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4646146 OBDepict H CH 3 H N H HN IC50 < 2.8 nM 256.39 C/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CCNCC1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4792202 OBDepict O HN N H N O HN IC50 = 2.81 nM 480.61 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2[nH]1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4644907 OBDepict CH 3 H H N H H H NH 2 IC50 = 2.9 nM 270.42 C/C(=Cc1ccccc1)[C@@H]1C[C@H]1N[C@H]1CC[C@H](N)CC1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4638015 OBDepict H 3 C H H N H N OH IC50 < 3.0 nM 354.54 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CC2(CCN(CCO)CC2)C1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4646431 OBDepict HO N N H H H CH 3 IC50 < 3.0 nM 326.48 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCO)C2 Homo sapiens CHEMBL4630174 assay format
CHEMBL4166623 OBDepict N CH 3 N CH 3 H H 2 N H OH IC50 = 3.0 nM 345.45 Cc1cc2c(cc1C#N)c(-c1cccc(N)c1C)cn2[C@@H]1CC[C@@H](O)C1 Homo sapiens CHEMBL4136251 single protein format
CHEMBL4851339 OBDepict H 3 C O O H 3 C N H IC50 = 3.0 nM 309.41 COc1ccc(CNC2CC23CCc2ccccc23)cc1OC Homo sapiens CHEMBL4814440 single protein format
CHEMBL4548929 OBDepict N F N N CH 3 N O N N H NH 2 H 3 C IC50 = 3.0 nM 443.49 Cc1c(C(=O)N2CC[C@H](N)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1 Homo sapiens CHEMBL4310493 single protein format
CHEMBL4173886 OBDepict N CH 3 N CH 3 H H 2 N H OH IC50 = 3.0 nM 359.47 Cc1cc2c(cc1C#N)c(-c1cccc(N)c1C)cn2[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL4136251 single protein format
CHEMBL4448358 OBDepict N F N N H 3 C N O N N H H 2 N H 3 C IC50 = 3.0 nM 457.51 Cc1c(C(=O)N2CCC[C@@H](N)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2c(cnn2C)c1 Homo sapiens CHEMBL4310493 single protein format
CHEMBL4649041 OBDepict H 3 C H H N H N F F IC50 < 3.0 nM 346.47 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(F)F)C2 Homo sapiens CHEMBL4630174 assay format
CHEMBL4637451 OBDepict H 3 C H H N H N O IC50 = 3.0 nM 338.5 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C1COC1)C2 Homo sapiens CHEMBL4630174 assay format
CHEMBL4303296 OBDepict H H N H O N O N CH 3 IC50 = 3.1 nM 379.5 CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 Homo sapiens CHEMBL4618022 single protein format
CHEMBL4754779 OBDepict O NH N N CH 3 O NH IC50 = 3.92 nM 494.64 Cn1ccc2c(C(=O)Nc3cccc4c3N(Cc3ccc(OC5CCNCC5)cc3)CCC4)cccc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4163180 OBDepict N H 3 C N H 3 C H H 2 N H OH IC50 = 4.0 nM 331.42 Cc1cc2c(cc1C#N)c(-c1cccc(N)c1C)cn2[C@H]1C[C@@H](O)C1 Homo sapiens CHEMBL4136251 single protein format
CHEMBL4447527 OBDepict CH 3 O N H 3 C N N O F H H 2 N N IC50 = 4.0 nM 433.49 COc1ccc(-n2c(-c3ccc(C#N)c(F)c3)nc(C(=O)N3CCC[C@@H](N)C3)c2C)cc1 Homo sapiens CHEMBL4310493 single protein format
CHEMBL4454128 OBDepict H 3 C O F N N CH 3 N O F N H NH 2 IC50 = 4.0 nM 437.45 COc1ccc(-n2c(-c3ccc(C#N)c(F)c3)nc(C(=O)N3CC[C@H](N)C3)c2C)cc1F Homo sapiens CHEMBL4310493 single protein format
CHEMBL4762346 OBDepict OH HN O N NH H H IC50 = 4.0 nM 407.56 O=C(NO)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 Homo sapiens CHEMBL4724378 single protein format
CHEMBL4741826 OBDepict OH N H O N NH H H O F IC50 = 4.0 nM 531.67 O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1 Homo sapiens CHEMBL4724378 single protein format
CHEMBL4516248 OBDepict H 3 C N H H N O N CH 3 N F F N N N H 3 C IC50 = 4.0 nM 475.5 CN[C@H]1CCN(C(=O)c2nc(-c3ccc(C#N)c(F)c3)n(-c3cc4cn(C)nc4cc3F)c2C)C1 Homo sapiens CHEMBL4310493 single protein format
CHEMBL4636174 OBDepict CH 3 H H N H N S O O CH 3 IC50 = 4.0 nM 360.52 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(S(C)(=O)=O)C2 Homo sapiens CHEMBL4630174 assay format
CHEMBL4175912 OBDepict CH 3 HN H H N CH 3 CH 3 H 2 N N IC50 = 4.0 nM 372.52 CN[C@H]1CC[C@@H](n2cc(-c3cccc(N)c3C)c3cc(C#N)c(C)cc32)CC1 Homo sapiens CHEMBL4136251 single protein format
CHEMBL4640768 OBDepict CH 3 H H NH NH IC50 = 4.2 nM 270.42 C/C(=Cc1ccccc1)[C@@H]1C[C@H]1NCC1CCNCC1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4744658 OBDepict O HN N CH 3 N O HN IC50 = 4.44 nM 494.64 Cn1ccc2cccc(C(=O)Nc3cccc4c3N(Cc3ccc(OC5CCNCC5)cc3)CCC4)c21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4747745 OBDepict O NH N CH 3 N O NH IC50 = 4.55 nM 494.64 Cn1cc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4784444 OBDepict O HN N N H O HN IC50 = 4.58 nM 480.61 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc2[nH]ccc2c1 Homo sapiens CHEMBL4686623 single protein format
CHEMBL4546158 OBDepict CH 3 N N S O O N H O N OH Cl IC50 = 4.6 nM 476.99 CN1CCCN(S(=O)(=O)c2cccc(C(=O)N/N=C3CCc4c(Cl)ccc(O)c43)c2)CC1 Homo sapiens CHEMBL4432426 single protein format
CHEMBL4588399 OBDepict CH 3 N N S O O N H O N OH IC50 = 4.9 nM 428.51 CN1CCN(S(=O)(=O)c2cccc(C(=O)N/N=C3CCc4cccc(O)c43)c2)CC1 Homo sapiens CHEMBL4432426 single protein format
CHEMBL1938897 OBDepict CH 3 N H O O Ki = 5.0 nM 295.38 CC(NC1CC1c1ccccc1)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL1942527 single protein format
CHEMBL3108901 OBDepict H 3 C N H H O H O Ki = 5.0 nM 295.38 CC(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL3110659 single protein format
CHEMBL4451430 OBDepict CH 3 O F N N H 3 C N H O F H N N H IC50 = 5.0 nM 451.48 COc1ccc(-n2c(-c3ccc(C#N)c(F)c3)nc(C(=O)N[C@@H]3CCCNC3)c2C)cc1F Homo sapiens CHEMBL4310493 single protein format
CHEMBL3787230 OBDepict H NH H HN IC50 = 5.0 nM 230.35 c1ccc([C@@H]2C[C@H]2NCC2CCNCC2)cc1 Homo sapiens CHEMBL3789175 cell-based format
CHEMBL3651151 OBDepict CH 3 N H H O O IC50 = 5.0 nM 295.38 CC(N[C@H]1CC1c1ccccc1)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL3705690 single protein format
CHEMBL4749257 OBDepict O HN F N F F F O HN IC50 = 5.12 nM 527.56 O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc(C(F)(F)F)cc1F Homo sapiens CHEMBL4686623 single protein format
CHEMBL4647030 OBDepict H 3 C H H N H NH IC50 = 5.3 nM 282.43 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CC2(CNC2)C1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4749146 OBDepict OH HN O N NH H H IC50 = 6.0 nM 407.56 O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 Homo sapiens CHEMBL4724378 single protein format
CHEMBL4785144 OBDepict OH HN O N NH H H F IC50 = 6.0 nM 425.55 O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 Homo sapiens CHEMBL4724378 single protein format
CHEMBL4741936 OBDepict HO NH O N N H H H O CH 3 IC50 = 6.0 nM 437.58 COc1ccc([C@H]2C[C@@H]2NCC2CCN(CCCc3ccc(C(=O)NO)cc3)CC2)cc1 Homo sapiens CHEMBL4724378 single protein format
CHEMBL3785523 OBDepict CH 3 N N H H H IC50 = 6.0 nM 244.38 CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1 Homo sapiens CHEMBL3789175 cell-based format
CHEMBL3786192 OBDepict H H N H N IC50 = 6.0 nM 320.48 c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 Homo sapiens CHEMBL3789175 cell-based format
CHEMBL4646431 OBDepict HO N N H H H CH 3 Ki = 6.1 nM 326.48 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCO)C2 Homo sapiens CHEMBL4630187 assay format
CHEMBL4176756 OBDepict H N H H H NH 2 H H ClH IC50 = 6.4 nM 278.83 Cl.N[C@H]1CC[C@@H](N[C@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 Homo sapiens CHEMBL4135161 cell-based format
CHEMBL4514358 OBDepict N F N N H 3 C N O N N H N CH 3 CH 3 H 3 C IC50 = 7.0 nM 471.54 Cc1c(C(=O)N2CC[C@H](N(C)C)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1 Homo sapiens CHEMBL4310493 single protein format
CHEMBL4440004 OBDepict CH 3 O F N N H 3 C N O F N H H 2 N IC50 = 7.0 nM 451.48 COc1ccc(-n2c(-c3ccc(C#N)c(F)c3)nc(C(=O)N3CCC[C@@H](N)C3)c2C)cc1F Homo sapiens CHEMBL4310493 single protein format
CHEMBL4642534 OBDepict N H N H IC50 = 7.2 nM 256.39 C(=C/C1CC1NCC1CCNCC1)c1ccccc1 Homo sapiens CHEMBL4630174 assay format
CHEMBL4636924 OBDepict O N H O N CH 3 OH HO OH OH IC50 = 7.2 nM 342.31 Cc1c(C(=O)N/N=Cc2ccc(O)c(O)c2O)oc2cccc(O)c12 Homo sapiens CHEMBL4618022 single protein format
CHEMBL4641803 OBDepict H 3 C H H N H N O H 3 C IC50 = 7.7 nM 324.47 CC/C(=Cc1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C(C)=O)C2 Homo sapiens CHEMBL4630174 assay format
CHEMBL3651585 OBDepict H H N H O N O N CH 3 IC50 = 8.0 nM 379.5 CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 Homo sapiens CHEMBL4236606 assay format
CHEMBL4569059 OBDepict N N N H 3 C N O H 3 C H NH 2 IC50 = 8.0 nM 399.5 Cc1ccc(-n2c(-c3ccc(C#N)cc3)nc(C(=O)N3CCC[C@@H](N)C3)c2C)cc1 Homo sapiens CHEMBL4310493 single protein format