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SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)[C@H](C(C)C)C(=O)NO

InChI Key: InChIKey=UMBBJTOZRJURJL-JOCHJYFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50389102   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389102
PNG
(CHEMBL2064550)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C23H36N8O8S/c1-18(2)22(23(32)27-33)31(40(34,35)21-6-4-20(36-3)5-7-21)17-19-16-30(29-26-19)9-11-38-13-15-39-14-12-37-10-8-25-28-24/h4-7,16,18,22,33H,8-15,17H2,1-3H3,(H,27,32)/t22-/m1/s1
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Article
PubMed
n/an/a 1.20n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50389102
PNG
(CHEMBL2064550)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C23H36N8O8S/c1-18(2)22(23(32)27-33)31(40(34,35)21-6-4-20(36-3)5-7-21)17-19-16-30(29-26-19)9-11-38-13-15-39-14-12-37-10-8-25-28-24/h4-7,16,18,22,33H,8-15,17H2,1-3H3,(H,27,32)/t22-/m1/s1
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Article
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n/an/a 6n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389102
PNG
(CHEMBL2064550)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C23H36N8O8S/c1-18(2)22(23(32)27-33)31(40(34,35)21-6-4-20(36-3)5-7-21)17-19-16-30(29-26-19)9-11-38-13-15-39-14-12-37-10-8-25-28-24/h4-7,16,18,22,33H,8-15,17H2,1-3H3,(H,27,32)/t22-/m1/s1
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Article
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n/an/a 0.900n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389102
PNG
(CHEMBL2064550)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C23H36N8O8S/c1-18(2)22(23(32)27-33)31(40(34,35)21-6-4-20(36-3)5-7-21)17-19-16-30(29-26-19)9-11-38-13-15-39-14-12-37-10-8-25-28-24/h4-7,16,18,22,33H,8-15,17H2,1-3H3,(H,27,32)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/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