BDBM23102 2-(4-phenylbutoxy)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]ethan-1-one::alpha-ketooxazole, 12a

SMILES: O=C(COCCCCc1ccccc1)c1ncc(o1)-c1ccccn1

InChI Key: InChIKey=HHCOCKSGAZJTSF-UHFFFAOYSA-N

Data: 1 KI  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 = 23102   

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
DNA ligase 1 (Homo sapiens (Human))	BDBM23102 (2-(4-phenylbutoxy)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES O=C(COCCCCc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C20H20N2O3/c23-18(15-24-13-7-5-10-16-8-2-1-3-9-16)20-22-14-19(25-20)17-11-4-6-12-21-17/h1-4,6,8-9,11-12,14H,5,7,10,13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	60	-9.85	10	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Homo sapiens (Human))	BDBM23102 (2-(4-phenylbutoxy)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES O=C(COCCCCc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C20H20N2O3/c23-18(15-24-13-7-5-10-16-8-2-1-3-9-16)20-22-14-19(25-20)17-11-4-6-12-21-17/h1-4,6,8-9,11-12,14H,5,7,10,13,15H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description Inhibition of TGH activity was assayed using COS-7 expressed TGH and the chromogenic substrate. IC50 values were determined from the inhibition obser...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair