BDBM50034638 CHEMBL3360411::US9617269, Compound WYQ-95

SMILES: COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1

InChI Key: InChIKey=YQKLSVNIILKFHD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50034638   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50034638 (CHEMBL3360411 | US9617269, Compound WYQ-95) Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H17ClN6O3/c1-30-13-8-6-12(7-9-13)24-17(28)11-22-20-25-18-14(19(29)26-20)10-23-27(18)16-5-3-2-4-15(16)21/h2-10H,11H2,1H3,(H,24,28)(H2,22,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University; University of North Carolina at Chapel Hill US Patent					Assay Description Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiestera...				US Patent US9617269 (2017) BindingDB Entry DOI: 10.7270/Q2RX9F4B
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50034638 (CHEMBL3360411 | US9617269, Compound WYQ-95) Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H17ClN6O3/c1-30-13-8-6-12(7-9-13)24-17(28)11-22-20-25-18-14(19(29)26-20)10-23-27(18)16-5-3-2-4-15(16)21/h2-10H,11H2,1H3,(H,24,28)(H2,22,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis				J Med Chem 57: 10304-13 (2014) Article DOI: 10.1021/jm500836h BindingDB Entry DOI: 10.7270/Q28P624W
					More data for this Ligand-Target Pair