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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-7 (MMP7)' and Ligand = 'BDBM50246792'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
523n/an/an/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP7 by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 475n/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP7 by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair