Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 50398649   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University; University of North Carolina at Chapel Hill US Patent					Assay Description Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...				US Patent US9617269 (2017) BindingDB Entry DOI: 10.7270/Q2RX9F4B
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High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to PDE9A2 catalytic domain (181 to 506 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 ...				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to human PDE5A1 catalytic domain (535 to 860 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate aft...				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to PDE4D2 catalytic domain (86 to 413 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 m...				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to PDE1B catalytic domain (1 to 516 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counter				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to PDE3A (679 to 1087 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counter				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to PDE2A (580 to 941 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counter				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
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cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to human PDE10A2 catalytic domain (448 to 789 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate af...				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
					More data for this Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to PDE8A1 catalytic domain (480 to 820 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counte...				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to PDE7A1 catalytic domain (130 to 482 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counte...				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
					More data for this Ligand-Target Pair