BDBM98893 US8497265, 219

SMILES: OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1cnc2ccccc2n1

InChI Key: InChIKey=MTBXSCIEYVPHDN-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 = 98893   

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))	BDBM98893 (US8497265, 219) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1cnc2ccccc2n1 Show InChI InChI=1S/C21H24N6O2/c28-14-15-5-9-26(10-6-15)20-21(23-8-7-22-20)29-16-12-27(13-16)19-11-24-17-3-1-2-4-18(17)25-19/h1-4,7-8,11,15-16,28H,5-6,9-10,12-14H2	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	3.00E+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))	BDBM98893 (US8497265, 219) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1cnc2ccccc2n1 Show InChI InChI=1S/C21H24N6O2/c28-14-15-5-9-26(10-6-15)20-21(23-8-7-22-20)29-16-12-27(13-16)19-11-24-17-3-1-2-4-18(17)25-19/h1-4,7-8,11,15-16,28H,5-6,9-10,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37.8	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