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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50241376'   
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))
BDBM50241376
PNG
((S)-1-(2-(methylamino)-2-oxo-1-phenylethyl)-3-(5-t...)
Show SMILES CNC(=O)[C@@H](NC(=O)Nc1nnc(S)s1)c1ccccc1
Show InChI InChI=1S/C12H13N5O2S2/c1-13-9(18)8(7-5-3-2-4-6-7)14-10(19)15-11-16-17-12(20)21-11/h2-6,8H,1H3,(H,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.07E+3n/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))
BDBM50241376
PNG
((S)-1-(2-(methylamino)-2-oxo-1-phenylethyl)-3-(5-t...)
Show SMILES CNC(=O)[C@@H](NC(=O)Nc1nnc(S)s1)c1ccccc1
Show InChI InChI=1S/C12H13N5O2S2/c1-13-9(18)8(7-5-3-2-4-6-7)14-10(19)15-11-16-17-12(20)21-11/h2-6,8H,1H3,(H,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.10E+3n/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