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Q14123 | PDE1C_HUMAN | "Dual specificity Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C" (PDE1C)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4639341 OBDepict Cl N H CH 3 H N N N O N CH 3 H 3 C IC50 = 0.9 nM 421.93 CC(C)n1ncc2c(=O)n(Cc3ccccc3)c(N[C@H](C)c3ccc(Cl)cc3)nc21 Homo sapiens CHEMBL4613136 single protein format
CHEMBL4640793 OBDepict Cl N H CH 3 H N N N O N CH 3 H 3 C CH 3 IC50 = 1.5 nM 435.96 C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL572934 OBDepict H N N O N N IC50 = 2.1 nM 294.36 O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCCC1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL4647278 OBDepict F N H CH 3 H N N N O N CH 3 H 3 C CH 3 IC50 = 2.6 nM 419.5 C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccccc1)c1ccc(F)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL4644729 OBDepict F N N NH O N H 3 C H N H 3 C CH 3 H 3 C Cl IC50 = 2.9 nM 453.95 C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL512790 OBDepict Cl N N H O N N H 3 C CH 3 H IC50 = 4.0 nM 302.76 CC(C)c1n[nH]c2c(=O)[nH]c(Cc3cccc(Cl)c3)nc12 Homo sapiens CHEMBL966926 single protein format
CHEMBL4649493 OBDepict Cl NH H 3 C H N N N O N IC50 = 4.7 nM 447.97 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)n1Cc1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL3601563 OBDepict CH 3 O O CH 3 N H Cl IC50 = 7.0 nM 339.82 COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)nccc2c1OC Homo sapiens CHEMBL3602932 single protein format
CHEMBL2179093 OBDepict H N N O N N O IC50 = 14.0 nM 310.36 O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL2185812 cell-based format
CHEMBL4639286 OBDepict Cl HN CH 3 H N N N O N H 3 C CH 3 O O IC50 = 20.0 nM 465.94 CC(C)n1ncc2c(=O)n(Cc3ccc4c(c3)OCO4)c(N[C@H](C)c3ccc(Cl)cc3)nc21 Homo sapiens CHEMBL4613136 single protein format
CHEMBL4638381 OBDepict Cl NH H 3 C H N N N O N H 3 C H 3 C CH 3 O O IC50 = 27.0 nM 479.97 C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL4128481 OBDepict CH 3 O O N CH 3 N N H H 3 C H N N H CH 3 IC50 = 38.0 nM 327.39 COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122467 single protein format
CHEMBL583914 OBDepict O N H N N N H N H H 3 C N N IC50 = 50.0 nM 429.53 C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL4642557 OBDepict Cl N H CH 3 H N N CH 3 N O N CH 3 H 3 C IC50 = 57.0 nM 345.83 CC(C)n1ncc2c(=O)n(C)c(N[C@H](C)c3ccc(Cl)cc3)nc21 Homo sapiens CHEMBL4613136 single protein format
CHEMBL4634240 OBDepict Cl N H H 3 C H N N H 3 C N O N CH 3 CH 3 H 3 C IC50 = 65.0 nM 359.86 C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1C)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL565667 OBDepict O N H N N N H N H H 3 C N N IC50 = 73.0 nM 429.53 C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL4127641 OBDepict CH 3 O O N H 3 C N N H CH 3 N N H H 3 C IC50 = 83.0 nM 327.39 COc1ccc2c(NC(C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122467 single protein format
CHEMBL583064 OBDepict CH 3 O N N H CH 3 H N N H N O N IC50 = 110.0 nM 382.47 Cc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)no1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL2180072 OBDepict H N O N N CH 3 H N N O IC50 = 116.0 nM 379.46 C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ccccc2)C1 Homo sapiens CHEMBL2185161 single protein format
CHEMBL4632429 OBDepict Cl N H CH 3 H N N N O N CH 3 H 3 C CH 3 IC50 = 157.0 nM 435.96 C[C@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL2179099 OBDepict F N H CH 3 H N N H N O N O IC50 = 165.0 nM 411.48 C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185812 cell-based format
CHEMBL574449 OBDepict O N H N N N H N H H 3 C N F F F IC50 = 190.0 nM 446.48 C[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL575791 OBDepict CH 3 N N CH 3 N H CH 3 H N N H N O N IC50 = 200.0 nM 395.51 Cc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n(C)n1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL575790 OBDepict CH 3 N N N H H H 3 C N N H N O N IC50 = 210.0 nM 393.5 Cc1cnc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL566300 OBDepict O N H N N N H N H H 3 C N N IC50 = 220.0 nM 417.52 C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL4636141 OBDepict F N H CH 3 H N N N O N CH 3 H 3 C CH 3 IC50 = 245.0 nM 419.5 C[C@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccccc1)c1ccc(F)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL4632723 OBDepict Cl N H H 3 C H N N H 3 C N O N IC50 = 258.0 nM 371.87 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)n1C)c1ccc(Cl)cc1 Homo sapiens CHEMBL4613136 single protein format
CHEMBL575775 OBDepict H 3 C O N N H H CH 3 N N H N O N IC50 = 270.0 nM 408.51 COc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL2180071 OBDepict H 3 C N N N H N O O N IC50 = 297.0 nM 379.46 CC(c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ccccc2)C1 Homo sapiens CHEMBL2185161 single protein format
CHEMBL578033 OBDepict CH 3 N N N H H H 3 C N N H N O N IC50 = 400.0 nM 393.5 Cc1ncc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL2179096 OBDepict H 3 C H N H N N H N O N O IC50 = 431.0 nM 407.52 CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185812 cell-based format
CHEMBL2179100 OBDepict CH 3 O N H H H 3 C N N H N O N O IC50 = 466.0 nM 423.52 COc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cc1 Homo sapiens CHEMBL2185812 cell-based format
CHEMBL467282 OBDepict H 3 C CH 3 N N N H N O H O F F F IC50 = 520.0 nM 352.32 CC(C)c1n[nH]c2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12 Homo sapiens CHEMBL966926 single protein format
CHEMBL2180069 OBDepict H N O N N H 3 C H N N O O N N IC50 = 526.0 nM 397.44 C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ncccn2)C1 Homo sapiens CHEMBL2185161 single protein format
CHEMBL575745 OBDepict H 3 C N H H 3 C H N N H N O N IC50 = 563.0 nM 391.52 Cc1cccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL4129844 OBDepict CH 3 O O N CH 3 N N H H 3 C H N N H CH 3 IC50 = 579.0 nM 327.39 COc1ccc2c(N[C@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122467 single protein format
CHEMBL2177125 OBDepict F N H CH 3 H N N H N O N O IC50 = 693.0 nM 411.48 C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185812 cell-based format
CHEMBL3661035 OBDepict CH 3 N N H 3 C N N O H IC50 = 720.0 nM 302.42 CCC(CC)n1ncc2c(=O)[nH]c(CC3CCCCC3)nc21 Homo sapiens CHEMBL3706363 single protein format
CHEMBL2179098 OBDepict F N H CH 3 H N N H N O N O IC50 = 889.0 nM 411.48 C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185812 cell-based format
CHEMBL2180070 OBDepict H N O N N H 3 C H N N N N IC50 = 900.0 nM 365.44 C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ncccn2)C1 Homo sapiens CHEMBL2185161 single protein format
CHEMBL2431822 OBDepict F F N N N N CH 3 H N IC50 = 963.0 nM 387.39 C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc(F)c(F)c3)nn12 Homo sapiens CHEMBL2433336 single protein format
CHEMBL466474 OBDepict H 3 C H 3 C N N N CH 3 N O H O N O IC50 = 970.0 nM 411.51 CC(C)c1nn(C)c2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12 Homo sapiens CHEMBL966926 single protein format
CHEMBL572747 OBDepict H N O N H N N N H H 3 C IC50 = 970.0 nM 377.49 C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL1047622 cell-based format
CHEMBL2179102 OBDepict CH 3 N N H H 3 C H N N H N O N O IC50 = 979.0 nM 408.51 Cc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cn1 Homo sapiens CHEMBL2185812 cell-based format