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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50294123'   
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))
BDBM50294123
PNG
(2-(4'-Butoxy-N-isopropoxybiphenyl-4-ylsulfonamido)...)
Show SMILES CCCCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C21H28N2O6S/c1-4-5-14-28-19-10-6-17(7-11-19)18-8-12-20(13-9-18)30(26,27)23(29-16(2)3)15-21(24)22-25/h6-13,16,25H,4-5,14-15H2,1-3H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair