BDBM50429234 CHEMBL2333286

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

InChI Key: InChIKey=QWMCEWKMBRWRRX-GHRIWEEISA-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 = 50429234   

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))	BDBM50429234 (CHEMBL2333286) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)C(=O)OCC=C)cc1OC Show InChI InChI=1S/C30H30O7/c1-4-18-35-30(32)28(20-24-12-16-26(33-2)27(19-24)34-3)37-29(31)17-13-22-10-14-25(15-11-22)36-21-23-8-6-5-7-9-23/h4-17,19,28H,1,18,20-21H2,2-3H3/b17-13+	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	>1.00E+5	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
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