BDBM31589 triaryl imidazole, 1

SMILES: COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1cccs1

InChI Key: InChIKey=XBMULXNXJLWLLD-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 31589   

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))	BDBM31589 (triaryl imidazole, 1) Show SMILES COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1cccs1 Show InChI InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant full length PDE10A using cAMP as substrate preincubated for 20 mins measured after 4 hrs				Bioorg Med Chem Lett 22: 1944-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.046 BindingDB Entry DOI: 10.7270/Q2KH0NTP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM31589 (triaryl imidazole, 1) Show SMILES COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1cccs1 Show InChI InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	23
Pfizer					Assay Description PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...				J Med Chem 52: 5188-96 (2009) Article DOI: 10.1021/jm900521k BindingDB Entry DOI: 10.7270/Q290223B
					More data for this Ligand-Target Pair				3D Structure (crystal)