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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50241377'   
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))
BDBM50241377
PNG
((S)-1-(3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)...)
Show SMILES CNC(=O)[C@H](CO)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C7H11N5O3S2/c1-8-4(14)3(2-13)9-5(15)10-6-11-12-7(16)17-6/h3,13H,2H2,1H3,(H,8,14)(H,12,16)(H2,9,10,11,15)/t3-/m0/s1
PDB
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Article
PubMed
3.09E+4n/an/an/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))
BDBM50241377
PNG
((S)-1-(3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)...)
Show SMILES CNC(=O)[C@H](CO)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C7H11N5O3S2/c1-8-4(14)3(2-13)9-5(15)10-6-11-12-7(16)17-6/h3,13H,2H2,1H3,(H,8,14)(H,12,16)(H2,9,10,11,15)/t3-/m0/s1
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Article
PubMed
3.10E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50241377
PNG
((S)-1-(3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)...)
Show SMILES CNC(=O)[C@H](CO)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C7H11N5O3S2/c1-8-4(14)3(2-13)9-5(15)10-6-11-12-7(16)17-6/h3,13H,2H2,1H3,(H,8,14)(H,12,16)(H2,9,10,11,15)/t3-/m0/s1
PDB
MMDB

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Article
PubMed
3.10E+4n/an/an/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (MMP-3)


J Med Chem 47: 3065-74 (2004)


Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W
More data for this
Ligand-Target Pair