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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50101714'   
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))
BDBM50101714
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(2-metho...)
Show SMILES COCCOC(=O)N(C)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-16-15-34-2)21-6-4-5-20(17-21)24(25(29)30)27-37(32,33)23-13-9-19(10-14-23)18-7-11-22(35-3)12-8-18/h7-14,20-21,24,27H,4-6,15-17H2,1-3H3,(H,29,30)
PDB
MMDB

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PC cid
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Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair