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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50101520'   
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))
BDBM50101520
PNG
(CHEMBL77663 | N*1*-{2-Cyclohexyl-1-[2-(4-morpholin...)
Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCCCN2CCOCC2)cc1
Show InChI InChI=1S/C34H55N5O6/c1-26-12-14-27(15-13-26)10-7-11-29(25-32(41)38-44)33(42)37-30(24-28-8-3-2-4-9-28)34(43)36-18-16-31(40)35-17-5-6-19-39-20-22-45-23-21-39/h12-15,28-30,44H,2-11,16-25H2,1H3,(H,35,40)(H,36,43)(H,37,42)(H,38,41)/t29-,30+/m1/s1
PDB
MMDB

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Similars

PubMed
2.61n/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