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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50078951'   
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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
PDB
MMDB

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Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair