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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50031793'   
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))
BDBM50031793
PNG
((R)-6-Hydroxycarbamoyl-5-((S)-1-methylcarbamoyl-2-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(O)=O)CC(=O)NO
Show InChI InChI=1S/C18H25N3O6/c1-19-18(26)14(10-12-6-3-2-4-7-12)20-17(25)13(11-15(22)21-27)8-5-9-16(23)24/h2-4,6-7,13-14,27H,5,8-11H2,1H3,(H,19,26)(H,20,25)(H,21,22)(H,23,24)/t13-,14+/m1/s1
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Article
3.35E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031793
PNG
((R)-6-Hydroxycarbamoyl-5-((S)-1-methylcarbamoyl-2-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(O)=O)CC(=O)NO
Show InChI InChI=1S/C18H25N3O6/c1-19-18(26)14(10-12-6-3-2-4-7-12)20-17(25)13(11-15(22)21-27)8-5-9-16(23)24/h2-4,6-7,13-14,27H,5,8-11H2,1H3,(H,19,26)(H,20,25)(H,21,22)(H,23,24)/t13-,14+/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
3.35E+3n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human fibroblast collagenase, MMP-1


J Med Chem 38: 2570-81 (1995)


BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair