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Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'milik' and Initial = 'm'   
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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562615
PNG
(CHEMBL4764756)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
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5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562617
PNG
(CHEMBL4752141)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1
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TBA

Assay Description
ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562617
PNG
(CHEMBL4752141)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1
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TBA

Assay Description
ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562615
PNG
(CHEMBL4764756)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
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TBA

Assay Description
ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154078
PNG
(7-Bromo-2-(4-hydroxy-2-methyl-phenyl)-benzooxazol-...)
Show SMILES Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1
Show InChI InChI=1S/C14H10BrNO3/c1-7-4-8(17)2-3-10(7)14-16-12-6-9(18)5-11(15)13(12)19-14/h2-6,17-18H,1H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154137
PNG
(3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-...)
Show SMILES Oc1ccc2c(noc2c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562617
PNG
(CHEMBL4752141)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154062
PNG
(2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL...)
Show SMILES Oc1ccc2nc(oc2c1)-c1cccc2c(O)cccc12
Show InChI InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562616
PNG
(CHEMBL4787269)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(F)c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562615
PNG
(CHEMBL4764756)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562613
PNG
(CHEMBL4785028)
Show SMILES CC(=O)Nc1cccc(Cn2cc(ccc2=O)-c2ccc3c(N)n[nH]c3c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562615
PNG
(CHEMBL4764756)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562617
PNG
(CHEMBL4752141)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562640
PNG
(CHEMBL4743561)
Show SMILES Brc1cnc2[nH]nc(-c3ccc(=O)n(Cc4ccccc4)c3)c2c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562616
PNG
(CHEMBL4787269)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(F)c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562614
PNG
(CHEMBL4757431)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(c2)C(F)(F)F)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562618
PNG
(CHEMBL4755524)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562625
PNG
(CHEMBL4746396)
Show SMILES FC(F)(F)c1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562628
PNG
(CHEMBL4749973)
Show SMILES Clc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562631
PNG
(CHEMBL4795993)
Show SMILES Fc1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562630
PNG
(CHEMBL4791136)
Show SMILES Fc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562625
PNG
(CHEMBL4746396)
Show SMILES FC(F)(F)c1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562628
PNG
(CHEMBL4749973)
Show SMILES Clc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562619
PNG
(CHEMBL4750622)
Show SMILES CC(=O)Nc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562631
PNG
(CHEMBL4795993)
Show SMILES Fc1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
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Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50148169
PNG
((4-Chloro-phenyl)-[4-(4-methoxy-pyridin-2-ylamino)...)
Show SMILES COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H20ClN3O2/c1-24-16-6-9-20-17(12-16)21-15-7-10-22(11-8-15)18(23)13-2-4-14(19)5-3-13/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,20,21)
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n/an/a 53n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of iNOS


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562613
PNG
(CHEMBL4785028)
Show SMILES CC(=O)Nc1cccc(Cn2cc(ccc2=O)-c2ccc3c(N)n[nH]c3c2)c1
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Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562614
PNG
(CHEMBL4757431)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(c2)C(F)(F)F)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562640
PNG
(CHEMBL4743561)
Show SMILES Brc1cnc2[nH]nc(-c3ccc(=O)n(Cc4ccccc4)c3)c2c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562627
PNG
(CHEMBL4762761)
Show SMILES Clc1ccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)cc1Cl
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50124525
PNG
(4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-(1'...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccsc2)Nc2cccc(F)c12 |t:1|
Show InChI InChI=1S/C17H17FN4OS/c18-12-2-1-3-13-14(12)15(19)21-17(20-13)5-7-22(8-6-17)16(23)11-4-9-24-10-11/h1-4,9-10,20H,5-8H2,(H2,19,21)
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n/an/a 67n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of iNOS


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50035206
PNG
(4-(5-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2C3C(CCc2c1)C3c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-3-5-14-12(10-13)2-4-15-16(17(14)15)11-6-8-18-9-7-11/h3,5-10,15-17H,2,4H2,1H3
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n/an/a 69n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of aromatase


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562630
PNG
(CHEMBL4791136)
Show SMILES Fc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562639
PNG
(CHEMBL4789590)
Show SMILES O=c1ccc(cn1Cc1ccccc1)-c1ccc2cn[nH]c2c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562629
PNG
(CHEMBL4752921)
Show SMILES Clc1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
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Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19956
PNG
(3-arylquinazolinethione, 1bd | 7-hydroxy-3-(4-hydr...)
Show SMILES Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12
Show InChI InChI=1S/C15H12N2O2S/c1-9-6-12(19)7-13-14(9)15(20)17(8-16-13)10-2-4-11(18)5-3-10/h2-8,18-19H,1H3
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n/an/a 79n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562618
PNG
(CHEMBL4755524)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562629
PNG
(CHEMBL4752921)
Show SMILES Clc1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562620
PNG
(CHEMBL4759018)
Show SMILES Nc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50148164
PNG
(4-(4-Methoxy-pyridin-2-ylamino)-piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(OC)ccn1
Show InChI InChI=1S/C14H21N3O3/c1-3-20-14(18)17-8-5-11(6-9-17)16-13-10-12(19-2)4-7-15-13/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16)
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n/an/a 89n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of iNOS


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562627
PNG
(CHEMBL4762761)
Show SMILES Clc1ccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)cc1Cl
PDB
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50508585
PNG
(CHEMBL4550810)
Show SMILES Nc1c(sc(NCCN2CCNCC2)c1C#N)C(=O)c1ccc(Br)s1
Show InChI InChI=1S/C16H18BrN5OS2/c17-12-2-1-11(24-12)14(23)15-13(19)10(9-18)16(25-15)21-5-8-22-6-3-20-4-7-22/h1-2,20-21H,3-8,19H2
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Selvita S.A

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MELK expressed in Escherichia coli using ZIPtide as substrate measured after 0.5 hrs by ADP-Glo assay


Bioorg Med Chem Lett 29: 607-613 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.051
BindingDB Entry DOI: 10.7270/Q2377D0K
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562626
PNG
(CHEMBL4752471)
Show SMILES FC(F)(F)c1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM10009
PNG
(1-[(6-Methoxybenzofuran-2-yl)-p-tolylmethyl]-1H-1,...)
Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(C)cc1)n1cncn1
Show InChI InChI=1S/C19H17N3O2/c1-13-3-5-14(6-4-13)19(22-12-20-11-21-22)18-9-15-7-8-16(23-2)10-17(15)24-18/h3-12,19H,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of aromatase


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50562622
PNG
(CHEMBL4790632)
Show SMILES NC(=O)c1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50508596
PNG
(CHEMBL4450084)
Show SMILES CC(C)Nc1sc(C(=O)c2ccc(I)s2)c(N)c1C#N
Show InChI InChI=1S/C13H12IN3OS2/c1-6(2)17-13-7(5-15)10(16)12(20-13)11(18)8-3-4-9(14)19-8/h3-4,6,17H,16H2,1-2H3
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Selvita S.A

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MELK expressed in Escherichia coli using ZIPtide as substrate measured after 0.5 hrs by ADP-Glo assay


Bioorg Med Chem Lett 29: 607-613 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.051
BindingDB Entry DOI: 10.7270/Q2377D0K
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50508606
PNG
(CHEMBL4452507)
Show SMILES CC(C)Nc1sc(C(=O)c2ccc(Br)s2)c(N)c1C#N
Show InChI InChI=1S/C13H12BrN3OS2/c1-6(2)17-13-7(5-15)10(16)12(20-13)11(18)8-3-4-9(14)19-8/h3-4,6,17H,16H2,1-2H3
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Selvita S.A

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MELK expressed in Escherichia coli using ZIPtide as substrate measured after 0.5 hrs by ADP-Glo assay


Bioorg Med Chem Lett 29: 607-613 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.051
BindingDB Entry DOI: 10.7270/Q2377D0K
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50562626
PNG
(CHEMBL4752471)
Show SMILES FC(F)(F)c1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113057
BindingDB Entry DOI: 10.7270/Q20005TF
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50508586
PNG
(CHEMBL4543318)
Show SMILES NCCCNc1sc(C(=O)c2ccc(Br)s2)c(N)c1C#N
Show InChI InChI=1S/C13H13BrN4OS2/c14-9-3-2-8(20-9)11(19)12-10(17)7(6-16)13(21-12)18-5-1-4-15/h2-3,18H,1,4-5,15,17H2
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Selvita S.A

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MELK expressed in Escherichia coli using ZIPtide as substrate measured after 0.5 hrs by ADP-Glo assay


Bioorg Med Chem Lett 29: 607-613 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.051
BindingDB Entry DOI: 10.7270/Q2377D0K
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM10002
PNG
((6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)-3-pyr...)
Show SMILES COc1ccc(cc1)C(O)(c1cc2ccc(OC)cc2o1)c1cccnc1
Show InChI InChI=1S/C22H19NO4/c1-25-18-9-6-16(7-10-18)22(24,17-4-3-11-23-14-17)21-12-15-5-8-19(26-2)13-20(15)27-21/h3-14,24H,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of aromatase


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
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