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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-1 (MMP1)' and Ligand = 'BDBM50102631'   
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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50102631
PNG
(8-Isobutyl-9-oxo-6-oxa-1,10-diaza-tricyclo[11.6.1....)
Show SMILES CNC(=O)[C@@H]1Cc2cn(CCCCO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)c1ccccc21
Show InChI InChI=1S/C24H34N4O5/c1-15(2)12-18-21(24(31)27-32)33-11-7-6-10-28-14-16(17-8-4-5-9-20(17)28)13-19(23(30)25-3)26-22(18)29/h4-5,8-9,14-15,18-19,21,32H,6-7,10-13H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t18-,19+,21+/m1/s1
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair