BDBM50101986 CHEMBL3398158

SMILES: CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1

InChI Key: InChIKey=WBLGLTDVRSSMGF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50101986   

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
Cathepsin G (Homo sapiens (Human))	BDBM50101986 (CHEMBL3398158) Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1 Show InChI InChI=1S/C21H20F3NO5/c1-4-29-18(27)15-7-5-6-8-16(15)25-17(26)13-9-11-14(12-10-13)30-19(28)20(2,3)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50101986 (CHEMBL3398158) Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1 Show InChI InChI=1S/C21H20F3NO5/c1-4-29-18(27)15-7-5-6-8-16(15)25-17(26)13-9-11-14(12-10-13)30-19(28)20(2,3)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Leukocyte proteinase 3 (Homo sapiens (Human))	BDBM50101986 (CHEMBL3398158) Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1 Show InChI InChI=1S/C21H20F3NO5/c1-4-29-18(27)15-7-5-6-8-16(15)25-17(26)13-9-11-14(12-10-13)30-19(28)20(2,3)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair