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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50285577'   
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))
BDBM50285577
PNG
((R)-2-((S)-4-(3-hydroxyphenyl)-1-((S)-4-methyl-1-o...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1cccc(O)c1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-22(24(31)27-19-9-5-4-6-10-19)28-23(30)21(26-17(3)25(32)33)13-12-18-8-7-11-20(29)15-18/h4-11,15-17,21-22,26,29H,12-14H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)/t17-,21+,22+/m1/s1
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Article
PubMed
229n/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))
BDBM50285577
PNG
((R)-2-((S)-4-(3-hydroxyphenyl)-1-((S)-4-methyl-1-o...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1cccc(O)c1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-22(24(31)27-19-9-5-4-6-10-19)28-23(30)21(26-17(3)25(32)33)13-12-18-8-7-11-20(29)15-18/h4-11,15-17,21-22,26,29H,12-14H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)/t17-,21+,22+/m1/s1
PDB
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Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair