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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50030504   
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))
BDBM50297239
PNG
((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.45E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 19: 4546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50297233
PNG
((S)-3-methyl-2-(4'-(3-methyl-4-(methylsulfonamido)...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NS(C)(=O)=O)c3c2C)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H29N3O8S2/c1-16(2)25(28(33)34)31-41(37,38)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(32)26-17(3)24-22(30-40(4,35)36)6-5-7-23(24)39-26/h5-16,25,30-31H,1-4H3,(H,29,32)(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 1.12E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 19: 4546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T
More data for this
Ligand-Target Pair