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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50233897'   
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))		BDBM50233897
PNG
(CHEMBL4064516)
Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCSc2nc[nH]n2)c1
Show InChI InChI=1S/C19H18N6O3S2/c1-11-9-30-18-14(11)16(26)23-15(24-18)17(27)20-8-12-3-2-4-13(7-12)28-5-6-29-19-21-10-22-25-19/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,27)(H,21,22,25)(H,23,24,26)
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Article
PubMed
n/an/a 0.0740n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...

J Med Chem 60: 608-626 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01007
BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair