BDBM50384111 CHEMBL2029556

SMILES: COc1ccc(cc1)C(=O)N1C(=O)OC(C)(C)C1=O

InChI Key: InChIKey=ZYRNCIWULACSEK-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 = 50384111   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50384111 (CHEMBL2029556) Show SMILES COc1ccc(cc1)C(=O)N1C(=O)OC(C)(C)C1=O Show InChI InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3	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	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins				Bioorg Med Chem Lett 22: 3993-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.093 BindingDB Entry DOI: 10.7270/Q2NZ88PG
					More data for this Ligand-Target Pair
Leukocyte proteinase 3 (Homo sapiens (Human))	BDBM50384111 (CHEMBL2029556) Show SMILES COc1ccc(cc1)C(=O)N1C(=O)OC(C)(C)C1=O Show InChI InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate after 60 mins				Bioorg Med Chem Lett 22: 3993-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.093 BindingDB Entry DOI: 10.7270/Q2NZ88PG
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50384111 (CHEMBL2029556) Show SMILES COc1ccc(cc1)C(=O)N1C(=O)OC(C)(C)C1=O Show InChI InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3	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	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate after 30 mins				Bioorg Med Chem Lett 22: 3993-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.093 BindingDB Entry DOI: 10.7270/Q2NZ88PG
					More data for this Ligand-Target Pair