BDBM50398007 CHEMBL2180428::US8691827, I-1

SMILES: O=C(Nc1ccccc1)N1CCc2nc(nc(NCCc3ccccn3)c2C1)-c1ccncc1

InChI Key: InChIKey=QISVXXJKNHGEBH-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 = 50398007   

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))	BDBM50398007 (CHEMBL2180428 | US8691827, I-1) Show SMILES O=C(Nc1ccccc1)N1CCc2nc(nc(NCCc3ccccn3)c2C1)-c1ccncc1 Show InChI InChI=1S/C26H25N7O/c34-26(30-21-7-2-1-3-8-21)33-17-12-23-22(18-33)25(29-16-11-20-6-4-5-13-28-20)32-24(31-23)19-9-14-27-15-10-19/h1-10,13-15H,11-12,16-18H2,(H,30,34)(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	47.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The PDE10 Ki is a measure of the ability of the test compound to inhibit the action of the PDE10 enzyme. The final product may be further modified, ...				US Patent US8691827 (2014) BindingDB Entry DOI: 10.7270/Q2086409
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398007 (CHEMBL2180428 | US8691827, I-1) Show SMILES O=C(Nc1ccccc1)N1CCc2nc(nc(NCCc3ccccn3)c2C1)-c1ccncc1 Show InChI InChI=1S/C26H25N7O/c34-26(30-21-7-2-1-3-8-21)33-17-12-23-22(18-33)25(29-16-11-20-6-4-5-13-28-20)32-24(31-23)19-9-14-27-15-10-19/h1-10,13-15H,11-12,16-18H2,(H,30,34)(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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