BDBM50005891 1,8-Dihydroxy-2-isobutyl-anthraquinone::CHEMBL43457

SMILES: CC(C)Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O

InChI Key: InChIKey=GRSKERDPZVDLPE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50005891   

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))	BDBM50005891 (1,8-Dihydroxy-2-isobutyl-anthraquinone | CHEMBL434...) Show SMILES CC(C)Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O Show InChI InChI=1S/C18H16O4/c1-9(2)8-10-6-7-12-15(16(10)20)18(22)14-11(17(12)21)4-3-5-13(14)19/h3-7,9,19-20H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description In vitro inhibition of human leukocyte elastase.				J Med Chem 35: 1597-605 (1992) BindingDB Entry DOI: 10.7270/Q2QN67D7
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50005891 (1,8-Dihydroxy-2-isobutyl-anthraquinone | CHEMBL434...) Show SMILES CC(C)Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O Show InChI InChI=1S/C18H16O4/c1-9(2)8-10-6-7-12-15(16(10)20)18(22)14-11(17(12)21)4-3-5-13(14)19/h3-7,9,19-20H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of Cathepsin G (CatG)				J Med Chem 35: 1597-605 (1992) BindingDB Entry DOI: 10.7270/Q2QN67D7
					More data for this Ligand-Target Pair