BDBM50269349 CHEMBL2238074

SMILES: COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)NC1=O)-c1ccccc1

InChI Key: InChIKey=WTDXZCNEJVVFAH-BOPFTXTBSA-N

Data: 1 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 1 hit for monomerid = 50269349   

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
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50269349 (CHEMBL2238074) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)NC1=O)-c1ccccc1 Show InChI InChI=1S/C20H15N3O3S/c1-26-16-9-7-13(8-10-16)18-14(11-17-19(24)21-20(25)27-17)12-23(22-18)15-5-3-2-4-6-15/h2-12H,1H3,(H,21,24,25)/b17-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Natural Drugs, Department of Pharmacy, Birla Institute of Technology and Science, Pilani (BITS Pilani), Pilani Campus, Pilani 333 031, Rajasthan, India. Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate preincubated for 5 mins followed by substrate addition measured aft...				Bioorg Med Chem Lett 27: 3749-3754 (2017) Article DOI: 10.1016/j.bmcl.2017.06.069 BindingDB Entry DOI: 10.7270/Q2FX7CZQ
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