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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50240611'   
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))
BDBM50240611
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(C)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H29N3O5/c1-11-6-8-12(9-7-11)14(13(10-23)16(24)22-27)17(25)21-15(18(26)20-5)19(2,3)4/h6-9,13-15,23,27H,10H2,1-5H3,(H,20,26)(H,21,25)(H,22,24)/t13-,14+,15+/m0/s1
PDB
MMDB

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Article
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2n/an/an/an/an/an/an/an/a



Preclinical Research Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory potency against Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 2289-93 (2002)


Article DOI: 10.1021/jm0110993
BindingDB Entry DOI: 10.7270/Q2HQ42NC
More data for this
Ligand-Target Pair