Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50050602'   

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-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50050602 (6-[5-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2-propo...) Show SMILES CCCOc1ccc(Nc2nnc(N)[nH]2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C18H21N9O2/c1-4-7-29-12-6-5-10(20-18-23-17(19)24-25-18)8-11(12)14-21-15-13(16(28)22-14)9(2)26-27(15)3/h5-6,8H,4,7H2,1-3H3,(H,21,22,28)(H4,19,20,23,24,25)	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	n/a	n/a	n/a	n/a	n/a	n/a
Laboratories Glaxo Wellcome Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5 from human				J Med Chem 39: 1635-44 (1996) Article DOI: 10.1021/jm950812j BindingDB Entry DOI: 10.7270/Q2057F1T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Rattus norvegicus)	BDBM50050602 (6-[5-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2-propo...) Show SMILES CCCOc1ccc(Nc2nnc(N)[nH]2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C18H21N9O2/c1-4-7-29-12-6-5-10(20-18-23-17(19)24-25-18)8-11(12)14-21-15-13(16(28)22-14)9(2)26-27(15)3/h5-6,8H,4,7H2,1-3H3,(H,21,22,28)(H4,19,20,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Laboratories Glaxo Wellcome Centre de Recherches Curated by ChEMBL					Assay Description Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)				J Med Chem 39: 1635-44 (1996) Article DOI: 10.1021/jm950812j BindingDB Entry DOI: 10.7270/Q2057F1T
					More data for this Ligand-Target Pair