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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50097254'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50097254
PNG
((R)-N*1*-((S)-1-Cyclopentylcarbamoyl-2,2-dimethyl-...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)21(23(30)25-19-14-7-8-15-19)26-22(29)18(16-20(28)27-31)13-9-12-17-10-5-4-6-11-17/h4-6,10-11,18-19,21,31H,7-9,12-16H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t18-,21-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097254
PNG
((R)-N*1*-((S)-1-Cyclopentylcarbamoyl-2,2-dimethyl-...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)21(23(30)25-19-14-7-8-15-19)26-22(29)18(16-20(28)27-31)13-9-12-17-10-5-4-6-11-17/h4-6,10-11,18-19,21,31H,7-9,12-16H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t18-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Ability to inhibit the matrix metalloprotease-3 by method of Knight et al using the fluorogenic peptide substrate.


Bioorg Med Chem Lett 11: 567-70 (2001)


BindingDB Entry DOI: 10.7270/Q2610ZK1
More data for this
Ligand-Target Pair