Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50236274'   

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))	BDBM50236274 (CHEMBL4090625 | US11186582, Example 246) Show SMILES Cc1cc(C2CN(CC(F)(F)C2)C(=O)c2ccc(F)cc2)n2ncnc2n1 Show InChI InChI=1S/C18H16F3N5O/c1-11-6-15(26-17(24-11)22-10-23-26)13-7-18(20,21)9-25(8-13)16(27)12-2-4-14(19)5-3-12/h2-6,10,13H,7-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				Citation and Details BindingDB Entry DOI: 10.7270/Q2988B5K
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50236274 (CHEMBL4090625 | US11186582, Example 246) Show SMILES Cc1cc(C2CN(CC(F)(F)C2)C(=O)c2ccc(F)cc2)n2ncnc2n1 Show InChI InChI=1S/C18H16F3N5O/c1-11-6-15(26-17(24-11)22-10-23-26)13-7-18(20,21)9-25(8-13)16(27)12-2-4-14(19)5-3-12/h2-6,10,13H,7-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	679	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing mGluR2 receptor				J Med Chem 60: 2037-2051 (2017) Article DOI: 10.1021/acs.jmedchem.6b01793 BindingDB Entry DOI: 10.7270/Q2Q242GF
					More data for this Ligand-Target Pair				3D Structure (crystal)