BDBM50384104 CHEMBL2029559

SMILES: COc1ccc(cc1)C(=O)n1c(O)c(oc1=O)-c1ccccc1

InChI Key: InChIKey=NJSUMZHNMUHUQM-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 = 50384104   

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 proteinase 3 (Homo sapiens (Human))	BDBM50384104 (CHEMBL2029559) Show SMILES COc1ccc(cc1)C(=O)n1c(O)c(oc1=O)-c1ccccc1 Show InChI InChI=1S/C17H13NO5/c1-22-13-9-7-12(8-10-13)15(19)18-16(20)14(23-17(18)21)11-5-3-2-4-6-11/h2-10,20H,1H3	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	5.00E+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))	BDBM50384104 (CHEMBL2029559) Show SMILES COc1ccc(cc1)C(=O)n1c(O)c(oc1=O)-c1ccccc1 Show InChI InChI=1S/C17H13NO5/c1-22-13-9-7-12(8-10-13)15(19)18-16(20)14(23-17(18)21)11-5-3-2-4-6-11/h2-10,20H,1H3	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	1.00E+5	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
Leukocyte elastase (Homo sapiens (Human))	BDBM50384104 (CHEMBL2029559) Show SMILES COc1ccc(cc1)C(=O)n1c(O)c(oc1=O)-c1ccccc1 Show InChI InChI=1S/C17H13NO5/c1-22-13-9-7-12(8-10-13)15(19)18-16(20)14(23-17(18)21)11-5-3-2-4-6-11/h2-10,20H,1H3	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	1.56E+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