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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM240829'   
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
72 kDa type IV collagenase


(Sus scrofa (Pig))		BDBM240829
PNG
((2R,3S)-3-amino-2-hydroxy-N-((S)-1-(hydroxyamino)-...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO)c1ccccc1 |r|
Show InChI InChI=1S/C18H21N3O4/c19-15(13-9-5-2-6-10-13)16(22)18(24)20-14(17(23)21-25)11-12-7-3-1-4-8-12/h1-10,14-16,22,25H,11,19H2,(H,20,24)(H,21,23)/t14-,15-,16+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.49E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...

J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair