Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50100670'   

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 (Canis lupus familiaris)	BDBM50100670 (CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...) Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50100670 (CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...) Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Relaxant effect on isolated rabbit corpus cavernosum				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
					More data for this Ligand-Target Pair