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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50286350'   
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))
BDBM50286350
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(C)(=O)=O
Show InChI InChI=1S/C22H32N4O6S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-33(3,31)32)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
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Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair