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SMILES: Cc1ccc(Oc2ccc(cc2)N(C[C@H](N2CCOCC2)C(=O)NO)S(C)(=O)=O)cc1

InChI Key: InChIKey=VJUDEGHVGRIZAQ-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230531   
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))
BDBM50230531
PNG
((S)-N-hydroxy-2-morpholino-3-(N-(4-(p-tolyloxy)phe...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](N2CCOCC2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m0/s1
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MMDB

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Article
PubMed
n/an/a 1.90n/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))
BDBM50230531
PNG
((S)-N-hydroxy-2-morpholino-3-(N-(4-(p-tolyloxy)phe...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](N2CCOCC2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m0/s1
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Article
PubMed
n/an/a 5.20n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50230531
PNG
((S)-N-hydroxy-2-morpholino-3-(N-(4-(p-tolyloxy)phe...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](N2CCOCC2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


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