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

InChI Key: InChIKey=HTTNNOVNWHTYRY-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230510   
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))
BDBM50230510
PNG
(CHEMBL252022 | N-{(S)-1-hydroxycarbamoyl-2-[methan...)
Show SMILES CC(C)C(=O)N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H27N3O6S/c1-14(2)20(25)22-19(21(26)23-27)13-24(31(4,28)29)16-7-11-18(12-8-16)30-17-9-5-15(3)6-10-17/h5-12,14,19,27H,13H2,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1
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Article
PubMed
n/an/a 5.40n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50230510
PNG
(CHEMBL252022 | N-{(S)-1-hydroxycarbamoyl-2-[methan...)
Show SMILES CC(C)C(=O)N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H27N3O6S/c1-14(2)20(25)22-19(21(26)23-27)13-24(31(4,28)29)16-7-11-18(12-8-16)30-17-9-5-15(3)6-10-17/h5-12,14,19,27H,13H2,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50230510
PNG
(CHEMBL252022 | N-{(S)-1-hydroxycarbamoyl-2-[methan...)
Show SMILES CC(C)C(=O)N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H27N3O6S/c1-14(2)20(25)22-19(21(26)23-27)13-24(31(4,28)29)16-7-11-18(12-8-16)30-17-9-5-15(3)6-10-17/h5-12,14,19,27H,13H2,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1
PDB
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PC sid
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Article
PubMed
n/an/a 70n/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