BDBM50207381 CHEMBL3934940

SMILES: COc1cc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc(OC)c1OC

InChI Key: InChIKey=WPXMYQOILUKHRF-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50207381   

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 lipase (Sus scrofa (Pig))	BDBM50207381 (CHEMBL3934940) Show SMILES COc1cc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc(OC)c1OC Show InChI InChI=1S/C30H25ClN2O5/c1-36-26-15-21(16-27(37-2)29(26)38-3)32-30(35)28(34)19-10-13-25-23(14-19)22-6-4-5-7-24(22)33(25)17-18-8-11-20(31)12-9-18/h4-16H,17H2,1-3H3,(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology and Science Pilani (Pilani Campus) Curated by ChEMBL					Assay Description Competitive inhibition of porcine pancreatic lipase 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured...				Bioorg Med Chem 25: 609-620 (2017) Article DOI: 10.1016/j.bmc.2016.11.031 BindingDB Entry DOI: 10.7270/Q2J968C6
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50207381 (CHEMBL3934940) Show SMILES COc1cc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc(OC)c1OC Show InChI InChI=1S/C30H25ClN2O5/c1-36-26-15-21(16-27(37-2)29(26)38-3)32-30(35)28(34)19-10-13-25-23(14-19)22-6-4-5-7-24(22)33(25)17-18-8-11-20(31)12-9-18/h4-16H,17H2,1-3H3,(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology and Science Pilani (Pilani Campus) Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...				Bioorg Med Chem 25: 609-620 (2017) Article DOI: 10.1016/j.bmc.2016.11.031 BindingDB Entry DOI: 10.7270/Q2J968C6
					More data for this Ligand-Target Pair