Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50242155'   

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))	BDBM50242155 (CHEMBL4100445 | US10899756, Compound AA) Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccnc(Cl)c3)c2C1)C#N Show InChI InChI=1S/C21H18ClN5O/c1-13(28)27-7-5-19-17(12-27)21(25-11-15-4-6-24-20(22)9-15)16-8-14(10-23)2-3-18(16)26-19/h2-4,6,8-9H,5,7,11-12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50242155 (CHEMBL4100445 | US10899756, Compound AA) Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccnc(Cl)c3)c2C1)C#N Show InChI InChI=1S/C21H18ClN5O/c1-13(28)27-7-5-19-17(12-27)21(25-11-15-4-6-24-20(22)9-15)16-8-14(10-23)2-3-18(16)26-19/h2-4,6,8-9H,5,7,11-12H2,1H3,(H,25,26)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair