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PubMed code 25180768

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15148
PNG
(2,3-diphenylquinoxaline 1 | 2-[4-(3-phenylquinoxal...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-23(2,24)18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)26-22/h3-15H,24H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin)


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15148
PNG
(2,3-diphenylquinoxaline 1 | 2-[4-(3-phenylquinoxal...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-23(2,24)18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)26-22/h3-15H,24H2,1-2H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (unknown origin)


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15148
PNG
(2,3-diphenylquinoxaline 1 | 2-[4-(3-phenylquinoxal...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-23(2,24)18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)26-22/h3-15H,24H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Akt1 PH domain (unknown origin)


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15148
PNG
(2,3-diphenylquinoxaline 1 | 2-[4-(3-phenylquinoxal...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-23(2,24)18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)26-22/h3-15H,24H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Akt2 PH domain (unknown origin)


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM15148
PNG
(2,3-diphenylquinoxaline 1 | 2-[4-(3-phenylquinoxal...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-23(2,24)18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)26-22/h3-15H,24H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of SGK (unknown origin)


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15148
PNG
(2,3-diphenylquinoxaline 1 | 2-[4-(3-phenylquinoxal...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-23(2,24)18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)26-22/h3-15H,24H2,1-2H3
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MMDB

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n/an/a>2.50E+5n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (unknown origin)


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50156074
PNG
(1,2-bis(3-fluorobenzylidene)hydrazine | CHEMBL3718...)
Show SMILES Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
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n/an/an/an/a 2.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50024560
PNG
(CHEMBL3334989)
Show SMILES COc1cccc(\C=N\N=C\c2cccc(OC)c2)c1
Show InChI InChI=1S/C16H16N2O2/c1-19-15-7-3-5-13(9-15)11-17-18-12-14-6-4-8-16(10-14)20-2/h3-12H,1-2H3/b17-11+,18-12+
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n/an/an/an/a 3.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50024561
PNG
(CHEMBL3334990)
Show SMILES Clc1cccc(\C=N\N=C\c2cccc(Cl)c2)c1
Show InChI InChI=1S/C14H10Cl2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
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n/an/an/an/a 7.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Silent allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50024542
PNG
(CHEMBL3334991)
Show SMILES O[C@H]1C[C@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r,wD:3.5,1.0,(35.3,-13.38,;33.97,-14.16,;32.48,-13.77,;32.09,-15.25,;33.58,-15.65,;30.76,-16.03,;29.43,-15.26,;29.42,-13.72,;28.1,-16.04,;26.76,-15.28,;25.43,-16.05,;25.43,-17.59,;26.76,-18.36,;28.1,-17.59,;24.09,-18.36,;22.76,-19.13,;21.43,-19.9,;21.43,-21.43,;20.1,-22.2,;18.76,-21.43,;18.76,-19.89,;17.43,-19.12,;20.09,-19.12,)|
Show InChI InChI=1S/C18H15FN2O2/c19-14-3-1-2-12(8-14)4-5-13-6-7-17(20-11-13)18(23)21-15-9-16(22)10-15/h1-3,6-8,11,15-16,22H,9-10H2,(H,21,23)/t15-,16+
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n/an/an/an/a 33n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50024562
PNG
(CHEMBL2431187)
Show SMILES O[C@H]1C[C@@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r,wU:1.0,wD:3.5,(42.58,-27.98,;41.21,-28.69,;40.69,-30.14,;39.24,-29.61,;39.76,-28.17,;37.97,-30.49,;36.64,-29.72,;36.63,-28.18,;35.3,-30.5,;33.97,-29.73,;32.64,-30.5,;32.64,-32.05,;33.97,-32.82,;35.31,-32.05,;31.3,-32.82,;29.97,-33.59,;28.64,-34.36,;28.64,-35.89,;27.31,-36.66,;25.97,-35.89,;25.97,-34.35,;24.64,-33.58,;27.3,-33.58,)|
Show InChI InChI=1S/C18H15FN2O2/c19-14-3-1-2-12(8-14)4-5-13-6-7-17(20-11-13)18(23)21-15-9-16(22)10-15/h1-3,6-8,11,15-16,22H,9-10H2,(H,21,23)/t15-,16-
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n/an/an/an/a 400n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Allosteric agonist activity at human muscarinic acetylcholine receptor M5


J Med Chem 57: 7485-98 (2014)


Article DOI: 10.1021/jm5011786
BindingDB Entry DOI: 10.7270/Q2XG9SQ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%