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SMILES: CC(C)N[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO

InChI Key: InChIKey=AJNIYVYCXZKNMP-SFHVURJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230506   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50230506
PNG
((S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(4-(trifl...)
Show SMILES CC(C)N[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C20H24F3N3O5S/c1-13(2)24-18(19(27)25-28)12-26(32(3,29)30)15-6-10-17(11-7-15)31-16-8-4-14(5-9-16)20(21,22)23/h4-11,13,18,24,28H,12H2,1-3H3,(H,25,27)/t18-/m0/s1
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Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50230506
PNG
((S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(4-(trifl...)
Show SMILES CC(C)N[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C20H24F3N3O5S/c1-13(2)24-18(19(27)25-28)12-26(32(3,29)30)15-6-10-17(11-7-15)31-16-8-4-14(5-9-16)20(21,22)23/h4-11,13,18,24,28H,12H2,1-3H3,(H,25,27)/t18-/m0/s1
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Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50230506
PNG
((S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(4-(trifl...)
Show SMILES CC(C)N[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C20H24F3N3O5S/c1-13(2)24-18(19(27)25-28)12-26(32(3,29)30)15-6-10-17(11-7-15)31-16-8-4-14(5-9-16)20(21,22)23/h4-11,13,18,24,28H,12H2,1-3H3,(H,25,27)/t18-/m0/s1
PDB
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair