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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50090350'   
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


(Homo sapiens (Human))
BDBM50090350
PNG
(4-Ethyl-3-(4-methoxy-benzenesulfonyl)-octanoic aci...)
Show SMILES CCCCC(CC)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H27NO5S/c1-4-6-7-13(5-2)16(12-17(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,13,16,20H,4-7,12H2,1-3H3,(H,18,19)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2.


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


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair