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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50078941'   
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))
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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MMDB

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Similars

Article
PubMed
7n/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