BDBM50429250 CHEMBL2333269

SMILES: COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)C(O)=O)cc1OC

InChI Key: InChIKey=QKWYGZIHAGYUDI-RVDMUPIBSA-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 = 50429250   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50429250 (CHEMBL2333269) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)C(O)=O)cc1OC Show InChI InChI=1S/C27H26O7/c1-31-23-14-10-21(16-24(23)32-2)17-25(27(29)30)34-26(28)15-11-19-8-12-22(13-9-19)33-18-20-6-4-3-5-7-20/h3-16,25H,17-18H2,1-2H3,(H,29,30)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair