BDBM50004053 CHEMBL2180006::US9834564, Compound 1

SMILES: C(Cc1cnc2ccccc2n1)c1nc(c[nH]1)-c1ccccc1

InChI Key: InChIKey=HMXBVTKCTWFFHC-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50004053   

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))	BDBM50004053 (CHEMBL2180006 | US9834564, Compound 1) Show SMILES C(Cc1cnc2ccccc2n1)c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	PDB US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. US Patent					Assay Description The activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 e...				US Patent US9834564 (2017)
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50004053 (CHEMBL2180006 | US9834564, Compound 1) Show SMILES C(Cc1cnc2ccccc2n1)c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE10A				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				3D Structure (crystal)