BDBM50207370 CHEMBL3896540

SMILES: COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC

InChI Key: InChIKey=KGHHCZONGRVNSD-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 = 50207370   

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))	BDBM50207370 (CHEMBL3896540) Show SMILES COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC Show InChI InChI=1S/C23H20N2O5/c1-28-19-11-14(12-20(29-2)22(19)30-3)24-23(27)21(26)13-8-9-18-16(10-13)15-6-4-5-7-17(15)25-18/h4-12,25H,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+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 lipase (Sus scrofa (Pig))	BDBM50207370 (CHEMBL3896540) Show SMILES COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC Show InChI InChI=1S/C23H20N2O5/c1-28-19-11-14(12-20(29-2)22(19)30-3)24-23(27)21(26)13-8-9-18-16(10-13)15-6-4-5-7-17(15)25-18/h4-12,25H,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.58E+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