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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50078929'   
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))
BDBM50078929
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O
Show InChI InChI=1S/C39H44ClN6O6P/c40-30-18-19-35(47)33(22-30)44-24-36(48)45-37(20-27-12-5-2-6-13-27)53(51,52)25-28(15-9-14-26-10-3-1-4-11-26)39(50)46(42)34(38(41)49)21-29-23-43-32-17-8-7-16-31(29)32/h1-8,10-13,16-19,22-23,28,34,37,43-44,47H,9,14-15,20-21,24-25,42H2,(H2,41,49)(H,45,48)(H,51,52)
PDB
MMDB

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Similars

Article
PubMed
7.5n/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