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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for UniProtKB: Q9BUB5   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM50500934
PNG
(CHEMBL3800585)
Show SMILES C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|
Show InChI InChI=1S/C25H29N9O/c1-15-14-34(11-10-27-15)20-7-5-6-17-22(20)33(4)24(31-17)21-23(26)29-13-19(30-21)18-12-16(8-9-28-18)25(35)32(2)3/h5-9,12-13,15,27H,10-11,14H2,1-4H3,(H2,26,29)/t15-/m0/s1
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UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human KMS11-luc cells assessed as inhibition of EIF4E phosphorylation at S209 after 3 hrs by quantitative electrochemilumines...


J Med Chem 59: 3034-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01657
BindingDB Entry DOI: 10.7270/Q2RB77MH
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM50500931
PNG
(CHEMBL3797873)
Show SMILES C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r|
Show InChI InChI=1S/C26H30N8O/c1-16-15-34(12-11-28-16)21-10-6-9-19-23(21)33(4)25(31-19)22-24(27)29-14-20(30-22)17-7-5-8-18(13-17)26(35)32(2)3/h5-10,13-14,16,28H,11-12,15H2,1-4H3,(H2,27,29)/t16-/m0/s1
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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human KMS11-luc cells assessed as inhibition of EIF4E phosphorylation at S209 after 3 hrs by quantitative electrochemilumines...


J Med Chem 59: 3034-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01657
BindingDB Entry DOI: 10.7270/Q2RB77MH
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM50500936
PNG
(CHEMBL3798762)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C
Show InChI InChI=1S/C25H28N8O/c1-31(2)25(34)17-7-4-6-16(14-17)19-15-28-23(26)21(29-19)24-30-18-8-5-9-20(22(18)32(24)3)33-12-10-27-11-13-33/h4-9,14-15,27H,10-13H2,1-3H3,(H2,26,28)
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UniProtKB/SwissProt

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PC sid
UniChem
Article
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n/an/an/an/a 5n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human KMS11-luc cells assessed as inhibition of EIF4E phosphorylation at S209 after 3 hrs by quantitative electrochemilumines...


J Med Chem 59: 3034-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01657
BindingDB Entry DOI: 10.7270/Q2RB77MH
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM50500932
PNG
(CHEMBL3798066)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1
Show InChI InChI=1S/C24H26N8O/c1-31(2)24(33)16-6-3-5-15(13-16)18-14-27-22(25)21(28-18)23-29-17-7-4-8-19(20(17)30-23)32-11-9-26-10-12-32/h3-8,13-14,26H,9-12H2,1-2H3,(H2,25,27)(H,29,30)
PDB

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Article
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n/an/an/an/a 50n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human KMS11-luc cells assessed as inhibition of EIF4E phosphorylation at S209 after 3 hrs by quantitative electrochemilumines...


J Med Chem 59: 3034-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01657
BindingDB Entry DOI: 10.7270/Q2RB77MH
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM50500933
PNG
(CHEMBL3797828)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(N3CCNCC3)c2[nH]1
Show InChI InChI=1S/C25H27N7O/c1-31(2)25(33)17-6-3-5-16(13-17)18-14-19(23(26)28-15-18)24-29-20-7-4-8-21(22(20)30-24)32-11-9-27-10-12-32/h3-8,13-15,27H,9-12H2,1-2H3,(H2,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MNK1/2 in human KMS11-luc cells assessed as inhibition of EIF4E phosphorylation at S209 after 3 hrs by quantitative electrochemilumines...


J Med Chem 59: 3034-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01657
BindingDB Entry DOI: 10.7270/Q2RB77MH
More data for this
Ligand-Target Pair