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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50101518'   
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))
BDBM50101518
PNG
(2-[3-(4-Chloro-phenyl)-propyl]-N*1*-{2-cyclohexyl-...)
Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCC(=O)N1CCOCC1
Show InChI InChI=1S/C32H48ClN5O7/c33-26-11-9-23(10-12-26)7-4-8-25(22-29(40)37-44)31(42)36-27(21-24-5-2-1-3-6-24)32(43)35-15-13-28(39)34-16-14-30(41)38-17-19-45-20-18-38/h9-12,24-25,27,44H,1-8,13-22H2,(H,34,39)(H,35,43)(H,36,42)(H,37,40)/t25-,27+/m1/s1
PDB
MMDB

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Similars

PubMed
1.38n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibitory constant against matrix metalloproteinase-3


J Med Chem 44: 2333-43 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KFR
More data for this
Ligand-Target Pair