BDBM50398013 CHEMBL2180421::US8492392, K-2

SMILES: CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1cnn(C)c1)-c1ccc(Cl)nc1

InChI Key: InChIKey=WFAAKUYRXMYJET-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 = 50398013   

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))	BDBM50398013 (CHEMBL2180421 | US8492392, K-2) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1cnn(C)c1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H22ClN7O2/c1-12(2)30-19-15-11-28(20(29)24-14-9-23-27(3)10-14)7-6-16(15)25-18(26-19)13-4-5-17(21)22-8-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398013 (CHEMBL2180421 | US8492392, K-2) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1cnn(C)c1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H22ClN7O2/c1-12(2)30-19-15-11-28(20(29)24-14-9-23-27(3)10-14)7-6-16(15)25-18(26-19)13-4-5-17(21)22-8-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.900	-12.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair