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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50090372'   
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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50090372
PNG
(3-(4-Methoxy-benzenesulfonyl)-4-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)C(C)c1ccccc1
Show InChI InChI=1S/C18H21NO5S/c1-13(14-6-4-3-5-7-14)17(12-18(20)19-21)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,17,21H,12H2,1-2H3,(H,19,20)
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MMDB

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PubMed
 1.71E+3n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-1.

Bioorg Med Chem Lett 10: 1637-40 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair