BDBM98999 US8497265, 455

SMILES: C1C(CN1c1ccc2ccccc2n1)Oc1nccnc1-c1cccnc1

InChI Key: InChIKey=QPGDCWWRPYPOEH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 98999   

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))	BDBM98999 (US8497265, 455) Show SMILES C1C(CN1c1ccc2ccccc2n1)Oc1nccnc1-c1cccnc1 Show InChI InChI=1S/C21H17N5O/c1-2-6-18-15(4-1)7-8-19(25-18)26-13-17(14-26)27-21-20(23-10-11-24-21)16-5-3-9-22-12-16/h1-12,17H,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE10A using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM98999 (US8497265, 455) Show SMILES C1C(CN1c1ccc2ccccc2n1)Oc1nccnc1-c1cccnc1 Show InChI InChI=1S/C21H17N5O/c1-2-6-18-15(4-1)7-8-19(25-18)26-13-17(14-26)27-21-20(23-10-11-24-21)16-5-3-9-22-12-16/h1-12,17H,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).				US Patent US8497265 (2013) BindingDB Entry DOI: 10.7270/Q2VD6X39
					More data for this Ligand-Target Pair