Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263740'   

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
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50263740 (CHEMBL4088142) Show SMILES Cc1nn2c(nc(CO)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(13.61,-11.77,;14.95,-11.01,;16.28,-11.78,;17.62,-11.01,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;16.29,-8.7,;16.3,-7.15,;14.96,-9.46,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;23.68,-13.16,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C19H17F3N6O3/c1-9-23-18(31)16-13(8-30)24-17(28(16)25-9)14-12(7-29)26-27(2)15(14)10-3-5-11(6-4-10)19(20,21)22/h3-6,29-30H,7-8H2,1-2H3,(H,23,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay				ACS Med Chem Lett 9: 68-72 (2018) Article DOI: 10.1021/acsmedchemlett.7b00343 BindingDB Entry DOI: 10.7270/Q2MG7S23
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50263740 (CHEMBL4088142) Show SMILES Cc1nn2c(nc(CO)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(13.61,-11.77,;14.95,-11.01,;16.28,-11.78,;17.62,-11.01,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;16.29,-8.7,;16.3,-7.15,;14.96,-9.46,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;23.68,-13.16,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C19H17F3N6O3/c1-9-23-18(31)16-13(8-30)24-17(28(16)25-9)14-12(7-29)26-27(2)15(14)10-3-5-11(6-4-10)19(20,21)22/h3-6,29-30H,7-8H2,1-2H3,(H,23,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 61: 3626-3640 (2018) Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X
					More data for this Ligand-Target Pair