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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 = 'BDBM50177310'   
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))
BDBM50177310
PNG
(2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-d...)
Show SMILES Cc1cc(COc2ccc(cc2)N2C(CCS2(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C21H21N3O5S/c1-14-12-15(18-4-2-3-5-19(18)22-14)13-29-17-8-6-16(7-9-17)24-20(21(25)23-26)10-11-30(24,27)28/h2-9,12,20,26H,10-11,13H2,1H3,(H,23,25)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


Bioorg Med Chem Lett 16: 1028-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.078
BindingDB Entry DOI: 10.7270/Q26Q1WTM
More data for this
Ligand-Target Pair