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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50268311'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Collagenase 3


(Homo sapiens (Human))		BDBM50268311
PNG
(CHEMBL4104422)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(CCc3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C24H20N4O4S/c29-19-12-32-18-9-7-15(10-17(18)26-19)11-25-23(31)21-27-22(30)20-16(13-33-24(20)28-21)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11-12H2,(H,25,31)(H,26,29)(H,27,28,30)
PDB
MMDB

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PC cid
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Similars
Article
PubMed
 190n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as...

ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair