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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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85%
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Ki
IC50
Kd
EC50
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PubMed code
25589917
Compile data set for download or QSAR
Found
6
hits of Enzyme Inhibition Constant Data
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human))
BDBM50042938
(CHEMBL3355002)
Show SMILES
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCCCS(C)(=O)=O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
1
n/a
n/a
n/a
n/a
n/a
n/a
Dart Neuroscience LLC
Curated by
ChEMBL
Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay
ACS Med Chem Lett
6:
9
-
10
(2015)
Article DOI:
10.1021/ml5003025
BindingDB Entry DOI:
10.7270/Q2BP04DN
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human))
BDBM50042936
(CHEMBL3355000)
Show SMILES
COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCc1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
1
n/a
n/a
n/a
n/a
n/a
n/a
Dart Neuroscience LLC
Curated by
ChEMBL
Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay
ACS Med Chem Lett
6:
9
-
10
(2015)
Article DOI:
10.1021/ml5003025
BindingDB Entry DOI:
10.7270/Q2BP04DN
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human))
BDBM50042934
(CHEMBL3354998)
Show SMILES
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCCCc3c12
Show InChI
InChI=1S/C20H22N6O/c1-11(2)27-17-8-15-12(9-23-26-15)7-16(17)25-20-18-13-5-3-4-6-14(13)24-19(18)21-10-22-20/h7-11H,3-6H2,1-2H3,(H,23,26)(H2,21,22,24,25)
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
5
n/a
n/a
n/a
n/a
n/a
n/a
Dart Neuroscience LLC
Curated by
ChEMBL
Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay
ACS Med Chem Lett
6:
9
-
10
(2015)
Article DOI:
10.1021/ml5003025
BindingDB Entry DOI:
10.7270/Q2BP04DN
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human))
BDBM50042933
(CHEMBL3354997)
Show SMILES
COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NC1CC1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
6
n/a
n/a
n/a
n/a
n/a
n/a
Dart Neuroscience LLC
Curated by
ChEMBL
Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay
ACS Med Chem Lett
6:
9
-
10
(2015)
Article DOI:
10.1021/ml5003025
BindingDB Entry DOI:
10.7270/Q2BP04DN
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human))
BDBM50042935
(CHEMBL3354999)
Show SMILES
CCNC(=O)C1CCc2[nH]c3ncnc(Nc4cc5cn[nH]c5cc4OC)c3c2C1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
6
n/a
n/a
n/a
n/a
n/a
n/a
Dart Neuroscience LLC
Curated by
ChEMBL
Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay
ACS Med Chem Lett
6:
9
-
10
(2015)
Article DOI:
10.1021/ml5003025
BindingDB Entry DOI:
10.7270/Q2BP04DN
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human))
BDBM50042937
(CHEMBL3355001)
Show SMILES
Fc1ccc2Nc3ncnc4[nH]c5CCC(Cc5c34)C(=O)OCCOc2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
3.54E+3
n/a
n/a
n/a
n/a
n/a
n/a
Dart Neuroscience LLC
Curated by
ChEMBL
Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay
ACS Med Chem Lett
6:
9
-
10
(2015)
Article DOI:
10.1021/ml5003025
BindingDB Entry DOI:
10.7270/Q2BP04DN
More data for this
Ligand-Target Pair
*
indicates data uncertainty>20%
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