BDBM50398011 CHEMBL2180423::US8492392, O-2

SMILES: COCCOc1nc(nc2CCN(Cc12)C(=O)c1cnn2ccccc12)-c1ccc(Cl)nc1

InChI Key: InChIKey=QWIIJBNLKMJZDH-UHFFFAOYSA-N

Data: 2 KI

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 = 50398011   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398011 (CHEMBL2180423 | US8492392, O-2) Show SMILES COCCOc1nc(nc2CCN(Cc12)C(=O)c1cnn2ccccc12)-c1ccc(Cl)nc1 Show InChI InChI=1S/C23H21ClN6O3/c1-32-10-11-33-22-17-14-29(23(31)16-13-26-30-8-3-2-4-19(16)30)9-7-18(17)27-21(28-22)15-5-6-20(24)25-12-15/h2-6,8,12-13H,7,9-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398011 (CHEMBL2180423 | US8492392, O-2) Show SMILES COCCOc1nc(nc2CCN(Cc12)C(=O)c1cnn2ccccc12)-c1ccc(Cl)nc1 Show InChI InChI=1S/C23H21ClN6O3/c1-32-10-11-33-22-17-14-29(23(31)16-13-26-30-8-3-2-4-19(16)30)9-7-18(17)27-21(28-22)15-5-6-20(24)25-12-15/h2-6,8,12-13H,7,9-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.930	-12.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair