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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50078667'   
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))
BDBM50078667
PNG
(3-(4-Phenoxy-benzenesulfonyl)-cyclohexanethiol | C...)
Show SMILES SC1CCCC(C1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20O3S2/c19-23(20,18-8-4-7-16(22)13-18)17-11-9-15(10-12-17)21-14-5-2-1-3-6-14/h1-3,5-6,9-12,16,18,22H,4,7-8,13H2
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-1 (hMMP-1)


Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair