BDBM50362710 CHEMBL1939803

SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(NC3CCOCC3)c2c1

InChI Key: InChIKey=RNLNRXGCWGOQMW-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 = 50362710   

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))	BDBM50362710 (CHEMBL1939803) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NC3CCOCC3)c2c1 Show InChI InChI=1S/C18H22N4O2/c1-10-8-13(23-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)19-12-4-6-24-7-5-12/h8-9,12H,4-7H2,1-3H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1019-22 (2012) Article DOI: 10.1016/j.bmcl.2011.11.127 BindingDB Entry DOI: 10.7270/Q2BV7H3J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50362710 (CHEMBL1939803) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NC3CCOCC3)c2c1 Show InChI InChI=1S/C18H22N4O2/c1-10-8-13(23-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)19-12-4-6-24-7-5-12/h8-9,12H,4-7H2,1-3H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.73E+4	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 recombinant human PDE5A using [3H]cAMP as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1019-22 (2012) Article DOI: 10.1016/j.bmcl.2011.11.127 BindingDB Entry DOI: 10.7270/Q2BV7H3J
					More data for this Ligand-Target Pair