BDBM50124644 CHEMBL3622894

SMILES: Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)s1

InChI Key: InChIKey=SAFPHTULZQIFPO-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50124644   

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))	BDBM50124644 (CHEMBL3622894) Show SMILES Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)s1 Show InChI InChI=1S/C18H20ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h4-6,8H,7,9-10H2,1-3H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay				J Med Chem 58: 7888-94 (2015) BindingDB Entry DOI: 10.7270/Q26Q202C
					More data for this Ligand-Target Pair				3D Structure (crystal)