BDBM50005902 2-Benzyl-1-hydroxy-anthraquinone::CHEMBL43177

SMILES: Oc1c(Cc2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12

InChI Key: InChIKey=ASLVBISTDOYLLH-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50005902   

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))	BDBM50005902 (2-Benzyl-1-hydroxy-anthraquinone | CHEMBL43177) Show SMILES Oc1c(Cc2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12 Show InChI InChI=1S/C21H14O3/c22-19-14(12-13-6-2-1-3-7-13)10-11-17-18(19)21(24)16-9-5-4-8-15(16)20(17)23/h1-11,22H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase				J Med Chem 35: 1597-605 (1992) BindingDB Entry DOI: 10.7270/Q2QN67D7
					More data for this Ligand-Target Pair