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SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO

InChI Key: InChIKey=ANZWBBMLNAIBAB-HSZRJFAPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50389095   
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))
BDBM50389095
PNG
(CHEMBL2064546)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C24H31N5O8S2/c1-17(2)23(24(30)26-31)29(38(32,33)21-11-7-20(36-4)8-12-21)16-19-15-28(27-25-19)13-14-37-39(34,35)22-9-5-18(3)6-10-22/h5-12,15,17,23,31H,13-14,16H2,1-4H3,(H,26,30)/t23-/m1/s1
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MMDB

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n/an/a 7n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389095
PNG
(CHEMBL2064546)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C24H31N5O8S2/c1-17(2)23(24(30)26-31)29(38(32,33)21-11-7-20(36-4)8-12-21)16-19-15-28(27-25-19)13-14-37-39(34,35)22-9-5-18(3)6-10-22/h5-12,15,17,23,31H,13-14,16H2,1-4H3,(H,26,30)/t23-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389095
PNG
(CHEMBL2064546)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C24H31N5O8S2/c1-17(2)23(24(30)26-31)29(38(32,33)21-11-7-20(36-4)8-12-21)16-19-15-28(27-25-19)13-14-37-39(34,35)22-9-5-18(3)6-10-22/h5-12,15,17,23,31H,13-14,16H2,1-4H3,(H,26,30)/t23-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389095
PNG
(CHEMBL2064546)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C24H31N5O8S2/c1-17(2)23(24(30)26-31)29(38(32,33)21-11-7-20(36-4)8-12-21)16-19-15-28(27-25-19)13-14-37-39(34,35)22-9-5-18(3)6-10-22/h5-12,15,17,23,31H,13-14,16H2,1-4H3,(H,26,30)/t23-/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 107n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair