BDBM50397976 CHEMBL2180438

SMILES: COc1ccc(cc1OC)-c1cc(nc(\C=C\c2nc(N(C)C)c3ccccc3n2)n1)N1CCn2ccnc2C1

InChI Key: InChIKey=TWKSVNUYYOARLZ-VAWYXSNFSA-N

Data: 1 IC50

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 = 50397976   

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))	BDBM50397976 (CHEMBL2180438) Show SMILES COc1ccc(cc1OC)-c1cc(nc(\C=C\c2nc(N(C)C)c3ccccc3n2)n1)N1CCn2ccnc2C1 Show InChI InChI=1S/C30H30N8O2/c1-36(2)30-21-7-5-6-8-22(21)32-27(35-30)12-11-26-33-23(20-9-10-24(39-3)25(17-20)40-4)18-28(34-26)38-16-15-37-14-13-31-29(37)19-38/h5-14,17-18H,15-16,19H2,1-4H3/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	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