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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-14' and Ligand = 'BDBM50173222'   
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-14


(Homo sapiens (Human))
BDBM50173222
PNG
((S)-2-{4'-[(4-methoxy-3,5-dimethyl-benzofuran-2-ca...)
Show SMILES COc1c(C)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12
Show InChI InChI=1S/C29H30N2O7S/c1-16(2)25(29(33)34)31-39(35,36)22-13-9-20(10-14-22)19-7-11-21(12-8-19)30-28(32)27-18(4)24-23(38-27)15-6-17(3)26(24)37-5/h6-16,25,31H,1-5H3,(H,30,32)(H,33,34)/t25-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-14


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50173222
PNG
((S)-2-{4'-[(4-methoxy-3,5-dimethyl-benzofuran-2-ca...)
Show SMILES COc1c(C)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12
Show InChI InChI=1S/C29H30N2O7S/c1-16(2)25(29(33)34)31-39(35,36)22-13-9-20(10-14-22)19-7-11-21(12-8-19)30-28(32)27-18(4)24-23(38-27)15-6-17(3)26(24)37-5/h6-16,25,31H,1-5H3,(H,30,32)(H,33,34)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair