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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'ERK2(T157A)' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
ERK2(T157A)


(Mus musculus (Mouse))
BDBM176672
PNG
(US9115122, 76)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H16N2O2S2/c1-2-18-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(19)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/an/a 6.10E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)

More data for this
Ligand-Target Pair
ERK2(T157A)


(Mus musculus (Mouse))
BDBM176675
PNG
(US9115122, 76.4)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1OC
Show InChI InChI=1S/C14H16N2O3S2/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16(6-5-15)14(20)21-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/an/a 3.00E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)

More data for this
Ligand-Target Pair
ERK2(T157A)


(Mus musculus (Mouse))
BDBM176674
PNG
(US9115122, 76.3)
Show SMILES NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C13H12N2O3S2/c14-3-4-15-12(16)11(20-13(15)19)6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5-6H,3-4,7,14H2/b11-6-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/an/a 8.10E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)

More data for this
Ligand-Target Pair
ERK2(T157A)


(Mus musculus (Mouse))
BDBM176673
PNG
(US9115122, 76.2)
Show SMILES NCCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O
Show InChI InChI=1S/C14H14N2OS2/c15-9-10-16-13(17)12(19-14(16)18)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10,15H2/b7-4+,12-8-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/an/a 2.40E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...


US Patent US9115122 (2015)

More data for this
Ligand-Target Pair