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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 = 'BDBM50102658'   
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))
BDBM50102658
PNG
(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[12.2.2]octade...)
Show SMILES CNC(=O)[C@@H]1CCCc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)14-19-18(22(28)26-30)7-5-13-31-17-11-9-16(10-12-17)6-4-8-20(23(29)24-3)25-21(19)27/h9-12,15,18-20,30H,4-8,13-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
PDB
MMDB

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PC cid
PC sid
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1.80n/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