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SMILES: Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2cccnc2)C(=O)NO)S(C)(=O)=O)cc1

InChI Key: InChIKey=BAFXERACAAFQDU-QFIPXVFZSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230519   
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))
BDBM50230519
PNG
((S)-N-hydroxy-2-(pyridin-3-ylmethylamino)-3-(N-(4-...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2cccnc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H26N4O5S/c1-17-5-9-20(10-6-17)32-21-11-7-19(8-12-21)27(33(2,30)31)16-22(23(28)26-29)25-15-18-4-3-13-24-14-18/h3-14,22,25,29H,15-16H2,1-2H3,(H,26,28)/t22-/m0/s1
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Article
PubMed
n/an/a 2.80n/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))
BDBM50230519
PNG
((S)-N-hydroxy-2-(pyridin-3-ylmethylamino)-3-(N-(4-...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2cccnc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H26N4O5S/c1-17-5-9-20(10-6-17)32-21-11-7-19(8-12-21)27(33(2,30)31)16-22(23(28)26-29)25-15-18-4-3-13-24-14-18/h3-14,22,25,29H,15-16H2,1-2H3,(H,26,28)/t22-/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))
BDBM50230519
PNG
((S)-N-hydroxy-2-(pyridin-3-ylmethylamino)-3-(N-(4-...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2cccnc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H26N4O5S/c1-17-5-9-20(10-6-17)32-21-11-7-19(8-12-21)27(33(2,30)31)16-22(23(28)26-29)25-15-18-4-3-13-24-14-18/h3-14,22,25,29H,15-16H2,1-2H3,(H,26,28)/t22-/m0/s1
PDB
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PC sid
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Article
PubMed
n/an/a 17n/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