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Q9Y233 | PDE10_HUMAN | "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" (PDE10A)

3D structures mapped by conservation among orthologs

[ Domain: "HD-domain/PDEase-like" // PDEase_I ]

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[ Domain: "sensor domains" // GAF ]

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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
CHEMBL3665948 OBDepict CH 3 S N CH 3 N H N CH 3 O N Cl H H N Ki = 0.0006 nM 466.01 Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc4ccccc4n3)nc(Cl)c2C)s1 Homo sapiens CHEMBL3705996 assay format
CHEMBL3686946 OBDepict CH 3 CH 3 O N N N N IC50 = 0.001 nM 372.47 CC1(C)CC(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)=CCO1 Homo sapiens CHEMBL3705852 assay format
CHEMBL4108029 OBDepict CH 3 N S N N H O N O N H 3 C H H N Ki = 0.001 nM 434.53 Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)s1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4109133 OBDepict CH 3 N N H 3 C N H O N O N H 3 C H H N Ki = 0.001 nM 420.52 Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)n(C)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3686945 OBDepict O N N N N IC50 = 0.0011 nM 344.42 C1=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCOC1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3691541 OBDepict H 3 C O N N N N N IC50 = 0.0012 nM 369.43 COc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)n1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3691542 OBDepict F N F F F N N N IC50 = 0.00122 nM 424.4 Fc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686914 OBDepict CH 3 O N O H 3 C N N N N IC50 = 0.00135 nM 399.45 COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c(OC)n1 Homo sapiens CHEMBL3705852 assay format
CHEMBL4110515 OBDepict CH 3 O N H H O N N N H CH 3 O N H 3 C N H 3 C Ki = 0.002 nM 410.48 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3910671 OBDepict H 3 C O O H 3 C N N N H 3 C N N CH 3 N Ki = 0.002 nM 428.5 COc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccccn3)nc(C)n2)cc1OC Homo sapiens CHEMBL3887631 cell-based format
CHEMBL3699653 OBDepict CH 3 N N O CH 3 N H 3 C N H H 3 C H N Ki = 0.002 nM 399.5 Cc1ncc(-c2c(C)nn(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 Homo sapiens CHEMBL3705509 cell-based format
CHEMBL4106788 OBDepict CH 3 N H 3 C N H O N O N H 3 C H H N Ki = 0.002 nM 431.54 Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)c(C)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3980754 OBDepict CH 3 O O CH 3 N N N CH 3 N N CH 3 N Ki = 0.002 nM 478.56 COc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccc4ccccc4n3)nc(C)n2)cc1OC Homo sapiens CHEMBL3887631 cell-based format
CHEMBL4111947 OBDepict CH 3 S N N H O N O N H 3 C H H N Ki = 0.002 nM 423.54 Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)s1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4106557 OBDepict CH 3 N S N N H O N O N H 3 C H H N Ki = 0.002 nM 424.53 Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)s1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3686927 OBDepict Cl CH 3 N N N N IC50 = 0.0023 nM 386.89 Cc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1Cl Homo sapiens CHEMBL3705852 assay format
CHEMBL3686929 OBDepict OH Cl N N N N IC50 = 0.0023 nM 388.86 Oc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl Homo sapiens CHEMBL3705852 assay format
CHEMBL3686909 OBDepict CH 3 O N N N N N IC50 = 0.00234 nM 369.43 COc1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686919 OBDepict H 3 C S O O N N N N IC50 = 0.00262 nM 416.51 CS(=O)(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686920 OBDepict NH 2 N N N N N IC50 = 0.00278 nM 354.42 Nc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686910 OBDepict CH 3 N N N N N IC50 = 0.00279 nM 353.43 Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3914246 OBDepict H 3 C O O H 3 C N N N H 3 C N CH 3 N N N H 3 C Ki = 0.003 nM 495.59 COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc4ccccc4n3C)nc(C)n2)cc1OC Homo sapiens CHEMBL3887631 cell-based format
CHEMBL4109273 OBDepict CH 3 O N H H O N N N H CH 3 O CH 3 N CH 3 Ki = 0.003 nM 421.5 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4112063 OBDepict CH 3 N H H O N N N H CH 3 O N H 3 C N H 3 C Ki = 0.003 nM 394.48 Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3665961 OBDepict CH 3 N N H 3 C N H N CH 3 O N Cl H H N N Ki = 0.0032 nM 449.95 Cc1cc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1 Homo sapiens CHEMBL3705996 assay format
CHEMBL2180441 OBDepict CH 3 N N N N F F F N H N H S O O IC50 = 0.0033 nM 518.57 Cc1nc2ccc(C(F)(F)F)cc2nc1/C=C/c1nc(N[C@@H]2CCS(=O)(=O)C2)cc(N2CCCC2)n1 Homo sapiens CHEMBL2187842 single protein format
CHEMBL3686933 OBDepict CH 3 O H 3 C N N N N IC50 = 0.0035 nM 382.47 COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C Homo sapiens CHEMBL3705852 assay format
CHEMBL3686921 OBDepict NH 2 N N N N N IC50 = 0.00376 nM 354.42 Nc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3937178 OBDepict CH 3 O O CH 3 N N N CH 3 N N CH 3 N Ki = 0.004 nM 480.57 COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc4ccccc4n3)nc(C)n2)cc1OC Homo sapiens CHEMBL3887631 cell-based format
CHEMBL4113066 OBDepict CH 3 O N H H O N N NH H 3 C O N S CH 3 Ki = 0.004 nM 413.5 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ncc(C)s3)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4115137 OBDepict CH 3 N H 3 C N H O N O N H 3 C H H N Ki = 0.004 nM 441.54 Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)c(C)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4115140 OBDepict CH 3 O N H H O N N Cl CH 3 N H O N S N H 3 C Ki = 0.004 nM 448.94 COc1ccc([C@H]2C[C@@H]2COc2nn(C)c(=O)c(NCc3nnc(C)s3)c2Cl)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4112612 OBDepict H 3 C O O N CH 3 N O N H 3 C H H N Ki = 0.004 nM 428.49 COc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cn(C)c1=O Homo sapiens CHEMBL3888073 single protein format
CHEMBL4111542 OBDepict CH 3 O N H H O N N Br CH 3 N H O N S N H 3 C Ki = 0.004 nM 493.39 COc1ccc([C@H]2C[C@@H]2COc2nn(C)c(=O)c(NCc3nnc(C)s3)c2Br)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3686936 OBDepict F Cl N N N N IC50 = 0.0041 nM 390.85 Fc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl Homo sapiens CHEMBL3705852 assay format
CHEMBL3686912 OBDepict F N N N N N IC50 = 0.00418 nM 357.39 Fc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686928 OBDepict CH 3 F N N N N IC50 = 0.0042 nM 370.43 Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F Homo sapiens CHEMBL3705852 assay format
CHEMBL3920660 OBDepict H 3 C O O H 3 C N N N H 3 C N CH 3 N N N H Ki = 0.005 nM 481.56 COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc4ccccc4[nH]3)nc(C)n2)cc1OC Homo sapiens CHEMBL3887631 cell-based format
CHEMBL4110030 OBDepict CH 3 N H H O N N N H CH 3 O N H 3 C N H 3 C Ki = 0.005 nM 394.48 Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4112605 OBDepict CH 3 N N N H O N O N H 3 C H H N Ki = 0.005 nM 406.49 Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)cn1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4110592 OBDepict H 3 C O O H 3 C N N N H 3 C N CH 3 N H H N N H Ki = 0.005 nM 481.56 COc1ccc(Cc2nc(C)nn2-c2cc([C@@H]3C[C@H]3c3nc4ccccc4[nH]3)nc(C)n2)cc1OC Homo sapiens CHEMBL3887631 cell-based format
CHEMBL3686935 OBDepict H 3 C F N N N N IC50 = 0.0051 nM 370.43 Cc1cc(F)cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686939 OBDepict CH 3 CH 3 N N N N IC50 = 0.0055 nM 366.47 Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C Homo sapiens CHEMBL3705852 assay format
CHEMBL4115655 OBDepict CH 3 N N O CH 3 N H CH 3 H O N Ki = 0.006 nM 412.49 Cc1ncc(-c2ccc(=O)n(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 Homo sapiens CHEMBL3888073 single protein format
CHEMBL3747517 OBDepict H 3 C S N CH 3 N H N H 3 C O N Cl N N Ki = 0.006 nM 454.99 Cc1nc(C)c(CNc2nc(OCC3CC3c3cc4ccccn4n3)nc(Cl)c2C)s1 Homo sapiens CHEMBL3750580 single protein format
CHEMBL3686931 OBDepict CH 3 O F N N N N IC50 = 0.0062 nM 400.46 CCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F Homo sapiens CHEMBL3705852 assay format
CHEMBL3686942 OBDepict F CH 3 N N N N IC50 = 0.0064 nM 370.43 Cc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F Homo sapiens CHEMBL3705852 assay format
CHEMBL3686911 OBDepict CH 3 N N N N N IC50 = 0.00648 nM 353.43 Cc1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686940 OBDepict CH 3 Cl N N N N IC50 = 0.0067 nM 386.89 Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl Homo sapiens CHEMBL3705852 assay format
CHEMBL3686947 OBDepict H N N N N N N IC50 = 0.007 nM 328.38 c1ccc2nc(N3CC(c4nccnc4-c4cn[nH]c4)C3)ccc2c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL4106713 OBDepict CH 3 N H H O N N N H CH 3 O CH 3 N H 3 C Ki = 0.007 nM 405.5 Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4114627 OBDepict CH 3 N H H O N N N H CH 3 O N S H 3 C Ki = 0.007 nM 397.5 Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ncc(C)s3)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3686941 OBDepict H 3 C Cl N N N N IC50 = 0.0072 nM 386.89 Cc1cc(Cl)cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686916 OBDepict CH 3 O N N N N N IC50 = 0.00787 nM 369.43 COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686918 OBDepict N N N N N IC50 = 0.00787 nM 339.4 c1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL4110581 OBDepict CH 3 O N H H O N N HN CH 3 O O N H 3 C Ki = 0.008 nM 397.44 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)no3)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3622898 OBDepict CH 3 S N H 3 C HN N H 3 C O N Cl N Ki = 0.0082 nM 454.0 Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1 Homo sapiens CHEMBL3626399 cell-based format
CHEMBL3686938 OBDepict Cl Cl N N N N IC50 = 0.0084 nM 407.3 Clc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl Homo sapiens CHEMBL3705852 assay format
CHEMBL4114544 OBDepict CH 3 O N H H O N N N H CH 3 O N H 3 C N H 3 C Ki = 0.009 nM 410.48 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cn(C)nc3C)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3686944 OBDepict Cl F F F N N N N IC50 = 0.0091 nM 440.86 FC(F)(F)c1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1Cl Homo sapiens CHEMBL3705852 assay format
CHEMBL3686937 OBDepict F F N N N N IC50 = 0.0099 nM 374.39 Fc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F Homo sapiens CHEMBL3705852 assay format
CHEMBL3746993 OBDepict CH 3 S N H 3 C N H N CH 3 O N Cl N Ki = 0.01 nM 466.01 Cc1nc(C)c(CNc2nc(OCC3CC3c3ccc4ccccc4n3)nc(Cl)c2C)s1 Homo sapiens CHEMBL3750580 single protein format
CHEMBL3745790 OBDepict CH 3 O N O N N Cl HN H 3 C S CH 3 N CH 3 Ki = 0.01 nM 445.98 COc1ccnc(C2CC2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 Homo sapiens CHEMBL3750580 single protein format
CHEMBL3960405 OBDepict CH 3 O O CH 3 N N N CH 3 N N CH 3 N N Ki = 0.01 nM 479.54 COc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccc4ncccc4n3)nc(C)n2)cc1OC Homo sapiens CHEMBL3887631 cell-based format
CHEMBL3746277 OBDepict CH 3 N O N N Cl NH CH 3 S H 3 C N H 3 C Ki = 0.01 nM 429.98 Cc1ccnc(C2CC2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 Homo sapiens CHEMBL3750580 single protein format
CHEMBL4111794 OBDepict CH 3 O N H H O N N HN CH 3 O N O H 3 C Ki = 0.01 nM 397.44 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)on3)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3686932 OBDepict CH 3 O Cl N N N N IC50 = 0.0106 nM 416.91 CCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl Homo sapiens CHEMBL3705852 assay format
CHEMBL3686934 OBDepict H 3 C O H 3 C F N N N N IC50 = 0.011 nM 414.48 CC(C)Oc1cc(F)cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL4112465 OBDepict H 3 C N N O H 3 C H O N H H N Ki = 0.011 nM 398.47 Cc1ncc(-c2cc(=O)[nH]cc2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 Homo sapiens CHEMBL3888073 single protein format
CHEMBL4108340 OBDepict CH 3 N H H O N N N H CH 3 O S N H 3 C Ki = 0.011 nM 397.5 Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnc(C)s3)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3695715 OBDepict CH 3 O N H H O N N H N N N S N H 3 C Ki = 0.012 nM 423.5 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)n3nccc3n2)nc1 Homo sapiens CHEMBL3705856 assay format
CHEMBL4110358 OBDepict CH 3 O N O N O N CH 3 H H N Ki = 0.012 nM 442.52 COCCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cc1=O Homo sapiens CHEMBL3888073 single protein format
CHEMBL3686917 OBDepict F N CH 3 N N N N IC50 = 0.0122 nM 371.42 Cc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cnc1F Homo sapiens CHEMBL3705852 assay format
CHEMBL3686915 OBDepict F N N N N N IC50 = 0.0123 nM 357.39 Fc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL4111052 OBDepict H O H N N N N CH 3 Br H 3 C O Ki = 0.013 nM 339.19 Cn1ccc([C@H]2C[C@@H]2COc2cc(Br)c(=O)n(C)n2)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4107863 OBDepict CH 3 O N H H O N N NH H 3 C O N N CH 3 Ki = 0.014 nM 396.45 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4113752 OBDepict CH 3 N N O N H H O H 3 C CH 3 N Ki = 0.014 nM 426.52 Cc1ncc(-c2ccc(=O)n(C(C)C)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 Homo sapiens CHEMBL3888073 single protein format
CHEMBL3686913 OBDepict F F F N N N N N IC50 = 0.0142 nM 407.4 FC(F)(F)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3686930 OBDepict CH 3 O N F F F N N N IC50 = 0.0149 nM 436.44 COc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL4110637 OBDepict CH 3 O N H H O N N NH H 3 C O N S N CH 3 Ki = 0.015 nM 414.49 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3686925 OBDepict CH 3 N N N N N IC50 = 0.01625 nM 353.43 Cc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3639857 OBDepict CH 3 O Cl N N N N IC50 = 0.0171 nM 430.94 CCCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl Homo sapiens CHEMBL3705852 assay format
CHEMBL4107675 OBDepict Cl N H H O N N NH H 3 C O H 3 C N CH 3 Ki = 0.019 nM 425.92 Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)c(C)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3665947 OBDepict H 3 C N N N H N H 3 C O N Cl H H N N Ki = 0.019 nM 435.92 Cc1c(Cl)nc(OC[C@@H]2C[C@H]2c2ccc3ncccc3n2)nc1NCc1cnn(C)c1 Homo sapiens CHEMBL3705996 assay format
CHEMBL4108308 OBDepict CH 3 O N H H O N N N H CH 3 O N H 3 C Ki = 0.019 nM 407.47 COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)cn3)c(=O)n(C)n2)nc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3622899 OBDepict H 3 C N S CH 3 NH N CH 3 O N Cl N N H Ki = 0.02 nM 442.98 Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4[nH]3)nc(Cl)c2C)s1 Homo sapiens CHEMBL3626399 cell-based format
CHEMBL3747450 OBDepict H 3 C S N CH 3 NH N CH 3 O N Cl N N H 3 C Ki = 0.02 nM 418.95 Cc1nc(C)c(CNc2nc(OCC3CC3c3cn(C)cn3)nc(Cl)c2C)s1 Homo sapiens CHEMBL3750580 single protein format
CHEMBL3659063 OBDepict CH 3 N N O N H H N S H N N H 3 C N Ki = 0.02 nM 419.51 Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)n1 Homo sapiens CHEMBL3706361 cell-based format
CHEMBL3746917 OBDepict CH 3 S N H 3 C N H N CH 3 O N Cl N N Ki = 0.02 nM 467.0 Cc1nc(C)c(CNc2nc(OCC3CC3c3ccc4ncccc4n3)nc(Cl)c2C)s1 Homo sapiens CHEMBL3750580 single protein format
CHEMBL4110725 OBDepict Cl N H H O N N HN CH 3 O N CH 3 N H 3 C Ki = 0.02 nM 414.9 Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)n(C)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL3694430 OBDepict O H N O O N N H IC50 = 0.021 nM 397.43 O=C1CC[C@@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1 Homo sapiens CHEMBL3705227 assay format
CHEMBL4106926 OBDepict CH 3 O N H O N O N H 3 C H H N O H 3 C Ki = 0.021 nM 422.49 COc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC)cn3)nn(C)c2=O)cc1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4112137 OBDepict CH 3 N H 3 C N H O N O N H 3 C H H N Ki = 0.021 nM 391.48 Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nn(C)c2=O)c(C)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4107591 OBDepict CH 3 N O N O N H 3 C H H N Ki = 0.021 nM 412.49 CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cc1=O Homo sapiens CHEMBL3888073 single protein format
CHEMBL3686923 OBDepict CH 3 N H 3 C N N N N N N IC50 = 0.02279 nM 383.46 CN(C)c1ncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 Homo sapiens CHEMBL3705852 assay format
CHEMBL3955247 OBDepict H 3 C O O H 3 C N N N H 3 C N N CH 3 N Ki = 0.023 nM 476.54 COc1ccc(Cc2nc(C)nn2-c2cc(C#Cc3ccc4ccccc4n3)nc(C)n2)cc1OC Homo sapiens CHEMBL3887631 cell-based format
CHEMBL4115367 OBDepict CH 3 N H 3 C N H O N O N H 3 C H H N N H 3 C Ki = 0.023 nM 394.48 Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)c(C)n1 Homo sapiens CHEMBL3888565 single protein format
CHEMBL4111638 OBDepict CH 3 N O N O N CH 3 H H N Ki = 0.024 nM 412.49 CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)ccc1=O Homo sapiens CHEMBL3888073 single protein format
CHEMBL3644274 OBDepict CH 3 O H 3 C O N O N N O CH 3 N CH 3 N Ki = 0.024 nM 521.58 Cc1ccc2c(=O)n(-c3ccc4cnn(C)c4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1 Homo sapiens CHEMBL3705964 assay format
CHEMBL3686926 OBDepict H 3 C O N N N N N IC50 = 0.02472 nM 369.43 COc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 Homo sapiens CHEMBL3705852 assay format