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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50288708'   
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))
BDBM50288708
PNG
((R)-2-[(S)-1-((S)-3-Methyl-1-phenylcarbamoyl-butyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCN1Cc2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C36H44N4O5/c1-25(2)23-32(34(42)37-28-16-7-4-8-17-28)39-33(41)30(21-20-26-13-5-3-6-14-26)38-31(36(44)45)19-11-12-22-40-24-27-15-9-10-18-29(27)35(40)43/h3-10,13-18,25,30-32,38H,11-12,19-24H2,1-2H3,(H,37,42)(H,39,41)(H,44,45)/t30-,31+,32-/m0/s1
PDB
MMDB

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PC cid
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Article
12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP-3.


Bioorg Med Chem Lett 6: 329-332 (1996)


Article DOI: 10.1016/0960-894X(96)00024-8
BindingDB Entry DOI: 10.7270/Q2S75GBB
More data for this
Ligand-Target Pair