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SMILES: OC1(CC(=O)c2ccc(cc2)-c2cccc(Cl)c2)C(=O)NC(=O)NC1=O

InChI Key: InChIKey=HWKBTEUWFWNXHM-UHFFFAOYSA-N

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

Found 3 hits for monomerid = 50392684   
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))
BDBM50392684
PNG
(CHEMBL2151353)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2cccc(Cl)c2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H13ClN2O5/c19-13-3-1-2-12(8-13)10-4-6-11(7-5-10)14(22)9-18(26)15(23)20-17(25)21-16(18)24/h1-8,26H,9H2,(H2,20,21,23,24,25)
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Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50392684
PNG
(CHEMBL2151353)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2cccc(Cl)c2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H13ClN2O5/c19-13-3-1-2-12(8-13)10-4-6-11(7-5-10)14(22)9-18(26)15(23)20-17(25)21-16(18)24/h1-8,26H,9H2,(H2,20,21,23,24,25)
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Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50392684
PNG
(CHEMBL2151353)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2cccc(Cl)c2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H13ClN2O5/c19-13-3-1-2-12(8-13)10-4-6-11(7-5-10)14(22)9-18(26)15(23)20-17(25)21-16(18)24/h1-8,26H,9H2,(H2,20,21,23,24,25)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.98E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair