BDBM50405195 CHEMBL52697

SMILES: Cc1c(CC(=O)c2ccccc2)oc(=O)c(C)c1O

InChI Key: InChIKey=VNFTZOUQEWRYPM-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50405195   

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
Chymotrypsin (Homo sapiens (Human))	BDBM50405195 (CHEMBL52697) Show SMILES Cc1c(CC(=O)c2ccccc2)oc(=O)c(C)c1O Show InChI InChI=1S/C15H14O4/c1-9-13(19-15(18)10(2)14(9)17)8-12(16)11-6-4-3-5-7-11/h3-7,17H,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.92E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant				J Med Chem 28: 1828-32 (1986) BindingDB Entry DOI: 10.7270/Q28S4R4F
					More data for this Ligand-Target Pair
Elastase (Sus scrofa (Pig))	BDBM50405195 (CHEMBL52697) Show SMILES Cc1c(CC(=O)c2ccccc2)oc(=O)c(C)c1O Show InChI InChI=1S/C15H14O4/c1-9-13(19-15(18)10(2)14(9)17)8-12(16)11-6-4-3-5-7-11/h3-7,17H,8H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.24E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant				J Med Chem 28: 1828-32 (1986) BindingDB Entry DOI: 10.7270/Q28S4R4F
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50405195 (CHEMBL52697) Show SMILES Cc1c(CC(=O)c2ccccc2)oc(=O)c(C)c1O Show InChI InChI=1S/C15H14O4/c1-9-13(19-15(18)10(2)14(9)17)8-12(16)11-6-4-3-5-7-11/h3-7,17H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.03E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant				J Med Chem 28: 1828-32 (1986) BindingDB Entry DOI: 10.7270/Q28S4R4F
					More data for this Ligand-Target Pair