BDBM50124652 CHEMBL3622905

SMILES: Cc1c(Cl)nc(nc1Cl)C1CC1

InChI Key: InChIKey=AEKXEKPMZIZYLD-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 = 50124652   

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))	BDBM50124652 (CHEMBL3622905) Show SMILES Cc1c(Cl)nc(nc1Cl)C1CC1 Show InChI InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.70E+3	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) Article DOI: 10.1021/acs.jmedchem.5b00983 BindingDB Entry DOI: 10.7270/Q26Q202C
					More data for this Ligand-Target Pair				3D Structure (crystal)