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Compile Data Set for Download or QSAR

Found 1026 hits with Last Name = 'bold' and Initial = 'g'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3014
PNG
(3-((3-Hydroxyphenyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Show InChI InChI=1S/C17H13ClN6O/c18-10-3-1-4-11(7-10)21-15-14-16(20-9-19-15)23-24-17(14)22-12-5-2-6-13(25)8-12/h1-9,25H,(H3,19,20,21,22,23,24)
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM9503
PNG
(2-[(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethy...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR induced autophosphorylation of human Vascular endothelial growth factor receptor 2 (VEGFR2) transfected in CHO cells


J Med Chem 45: 5687-93 (2002)


BindingDB Entry DOI: 10.7270/Q2ZK5HDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50121980
PNG
(CHEMBL347537 | N-(3-Isoquinolin-4-yl-phenyl)-2-[(p...)
Show SMILES O=C(Nc1cccc(c1)-c1cncc2ccccc12)c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C28H22N4O/c33-28(25-10-3-4-11-27(25)31-17-20-12-14-29-15-13-20)32-23-8-5-7-21(16-23)26-19-30-18-22-6-1-2-9-24(22)26/h1-16,18-19,31H,17H2,(H,32,33)
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n/an/a 1.20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR induced autophosphorylation of human Vascular endothelial growth factor receptor 2 (VEGFR2) transfected in CHO cells


J Med Chem 45: 5687-93 (2002)


BindingDB Entry DOI: 10.7270/Q2ZK5HDN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3023
PNG
(3-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3029
PNG
(3-(4-Aminophenyl)-4-((3-chlorophenyl)amino)-1H-pyr...)
Show SMILES Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H13ClN6/c18-11-2-1-3-13(8-11)22-16-14-15(10-4-6-12(19)7-5-10)23-24-17(14)21-9-20-16/h1-9H,19H2,(H2,20,21,22,23,24)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012586
PNG
(CHEMBL3260821)
Show SMILES Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1c(CC(=O)NC2CCCCC2)ccc(Cl)c1F |(63.6,-25.42,;63.55,-26.96,;62.27,-27.82,;62.7,-29.3,;64.24,-29.35,;64.76,-27.9,;65.1,-30.63,;66.65,-30.68,;67.07,-32.16,;68.51,-32.69,;68.78,-34.21,;70.22,-34.74,;71.4,-33.75,;71.13,-32.23,;69.69,-31.7,;65.79,-33.02,;64.58,-32.07,;63.04,-32.07,;62.27,-33.39,;60.74,-33.39,;59.96,-32.05,;58.42,-32.04,;60.74,-30.72,;59.98,-29.38,;62.28,-30.73,;65.74,-34.55,;64.37,-35.27,;63.07,-34.45,;61.71,-35.17,;60.4,-34.36,;61.65,-36.71,;60.29,-37.43,;58.99,-36.61,;57.63,-37.32,;57.57,-38.86,;58.87,-39.69,;60.24,-38.97,;64.32,-36.81,;65.62,-37.63,;66.99,-36.9,;68.3,-37.72,;67.04,-35.37,;68.4,-34.64,)|
Show InChI InChI=1S/C31H32Cl2F2N6O2/c32-21-13-11-19(16-24(42)37-20-9-5-2-6-10-20)27(25(21)35)41-28(18-12-14-23(34)22(33)15-18)26(30-39-40-31(36)43-30)38-29(41)17-7-3-1-4-8-17/h11-15,17,20H,1-10,16H2,(H2,36,40)(H,37,42)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012587
PNG
(CHEMBL3260822)
Show SMILES CC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1-n1c(nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1)C1CCCCC1 |(2.75,-50.65,;4.05,-51.47,;4,-53.01,;2.71,-52.23,;5.42,-50.75,;5.47,-49.21,;4.17,-48.39,;6.83,-48.49,;8.14,-49.31,;8.08,-50.85,;9.39,-51.67,;10.75,-50.94,;12.06,-51.75,;10.8,-49.41,;12.16,-48.68,;9.5,-48.59,;9.56,-47.06,;10.83,-46.2,;10.41,-44.72,;8.87,-44.67,;8,-43.39,;6.46,-43.34,;6.04,-41.86,;7.31,-41,;7.36,-39.46,;8.53,-41.94,;8.35,-46.11,;6.81,-46.11,;6.04,-47.43,;4.5,-47.43,;3.73,-46.09,;2.19,-46.08,;4.51,-44.76,;3.75,-43.42,;6.05,-44.77,;12.28,-46.73,;12.54,-48.25,;13.99,-48.78,;15.17,-47.79,;14.9,-46.27,;13.45,-45.74,)|
Show InChI InChI=1S/C29H30Cl2F2N6O2/c1-29(2,3)36-21(40)14-17-9-11-18(30)22(33)24(17)39-25(16-10-12-20(32)19(31)13-16)23(27-37-38-28(34)41-27)35-26(39)15-7-5-4-6-8-15/h9-13,15H,4-8,14H2,1-3H3,(H2,34,38)(H,36,40)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012588
PNG
(CHEMBL3260813)
Show SMILES OC(=O)c1nc(-c2ccccc2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F |(7.47,-12.21,;6.8,-13.6,;5.26,-13.71,;7.66,-14.88,;9.2,-14.93,;9.63,-16.41,;11.07,-16.94,;11.33,-18.46,;12.78,-18.99,;13.96,-18,;13.69,-16.48,;12.25,-15.95,;8.35,-17.27,;7.14,-16.32,;5.6,-16.32,;4.83,-17.64,;3.29,-17.64,;2.52,-16.3,;.98,-16.29,;3.3,-14.97,;2.53,-13.63,;4.84,-14.98,;8.29,-18.81,;6.93,-19.53,;6.87,-21.06,;8.18,-21.88,;9.54,-21.16,;10.85,-21.97,;9.59,-19.62,;10.95,-18.89,)|
Show InChI InChI=1S/C22H12Cl2F2N2O2/c23-14-7-4-8-17(18(14)26)28-20(13-9-10-16(25)15(24)11-13)19(22(29)30)27-21(28)12-5-2-1-3-6-12/h1-11H,(H,29,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012589
PNG
(CHEMBL3260816)
Show SMILES Fc1ccc(cc1Cl)-c1c(nc(C2CCCCC2)n1-c1cccc(Cl)c1F)-c1nnn[nH]1 |(48.97,-18.08,;50.51,-18.09,;51.28,-19.43,;52.82,-19.43,;53.59,-18.11,;52.83,-16.77,;51.29,-16.76,;50.53,-15.42,;55.13,-18.11,;55.65,-16.67,;57.19,-16.72,;57.61,-18.2,;59.06,-18.73,;59.32,-20.25,;60.77,-20.78,;61.95,-19.79,;61.68,-18.27,;60.23,-17.74,;56.34,-19.06,;56.28,-20.59,;54.92,-21.31,;54.86,-22.85,;56.17,-23.67,;57.53,-22.94,;58.84,-23.76,;57.58,-21.41,;58.94,-20.68,;54.78,-15.39,;53.24,-15.34,;52.82,-13.86,;54.09,-13,;55.31,-13.94,)|
Show InChI InChI=1S/C22H18Cl2F2N6/c23-14-7-4-8-17(18(14)26)32-20(13-9-10-16(25)15(24)11-13)19(21-28-30-31-29-21)27-22(32)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,28,29,30,31)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012590
PNG
(CHEMBL3260814)
Show SMILES OC(=O)c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F |(23.17,-13.47,;22.5,-14.86,;20.96,-14.97,;23.36,-16.14,;24.91,-16.19,;25.33,-17.67,;26.77,-18.2,;27.04,-19.72,;28.48,-20.25,;29.67,-19.26,;29.39,-17.74,;27.95,-17.21,;24.05,-18.53,;22.84,-17.58,;21.3,-17.58,;20.53,-18.9,;18.99,-18.9,;18.22,-17.56,;16.68,-17.55,;19,-16.23,;18.24,-14.89,;20.54,-16.24,;24,-20.07,;22.63,-20.79,;22.58,-22.32,;23.88,-23.14,;25.25,-22.41,;26.56,-23.23,;25.3,-20.88,;26.66,-20.15,)|
Show InChI InChI=1S/C22H18Cl2F2N2O2/c23-14-7-4-8-17(18(14)26)28-20(13-9-10-16(25)15(24)11-13)19(22(29)30)27-21(28)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,29,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012591
PNG
(CHEMBL3260819)
Show SMILES CNC(=O)Cc1ccc(Cl)c(F)c1-n1c(nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1)C1CCCCC1 |(31.38,-37.05,;32.74,-36.33,;32.8,-34.79,;31.49,-33.97,;34.16,-34.07,;35.46,-34.89,;35.41,-36.43,;36.71,-37.25,;38.08,-36.52,;39.38,-37.33,;38.13,-34.99,;39.49,-34.26,;36.83,-34.17,;36.88,-32.64,;38.16,-31.78,;37.74,-30.3,;36.19,-30.25,;35.32,-28.97,;33.79,-28.92,;33.36,-27.44,;34.64,-26.58,;34.69,-25.04,;35.85,-27.52,;35.67,-31.69,;34.13,-31.69,;33.36,-33.01,;31.83,-33.01,;31.05,-31.67,;29.51,-31.66,;31.83,-30.34,;31.07,-29,;33.37,-30.35,;39.6,-32.31,;39.87,-33.83,;41.31,-34.36,;42.49,-33.37,;42.22,-31.85,;40.78,-31.32,)|
Show InChI InChI=1S/C26H24Cl2F2N6O2/c1-32-19(37)12-15-7-9-16(27)20(30)22(15)36-23(14-8-10-18(29)17(28)11-14)21(25-34-35-26(31)38-25)33-24(36)13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H2,31,35)(H,32,37)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3016
PNG
(3-((4-Aminophenyl)amino)-4-((3-chlorophenyl)amino)...)
Show SMILES Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Show InChI InChI=1S/C17H14ClN7/c18-10-2-1-3-13(8-10)23-15-14-16(21-9-20-15)24-25-17(14)22-12-6-4-11(19)5-7-12/h1-9H,19H2,(H3,20,21,22,23,24,25)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3027
PNG
(3-(3-Aminophenyl)-4-((3-chlorophenyl)amino)-1H-pyr...)
Show SMILES Nc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H13ClN6/c18-11-4-2-6-13(8-11)22-16-14-15(10-3-1-5-12(19)7-10)23-24-17(14)21-9-20-16/h1-9H,19H2,(H2,20,21,22,23,24)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3025
PNG
(3-(4-Hydroxyphenyl)-4-((3-chlorophenyl)amino)pyraz...)
Show SMILES Oc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-16-14-15(10-4-6-13(24)7-5-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012592
PNG
(CHEMBL3260818)
Show SMILES Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F |(19.48,-25.13,;19.43,-26.67,;18.15,-27.53,;18.58,-29.01,;20.12,-29.06,;20.64,-27.62,;20.99,-30.34,;22.53,-30.39,;22.95,-31.88,;24.4,-32.4,;24.66,-33.92,;26.1,-34.45,;27.29,-33.46,;27.02,-31.94,;25.57,-31.42,;21.67,-32.74,;20.46,-31.79,;18.93,-31.78,;18.16,-33.11,;16.62,-33.1,;15.85,-31.76,;14.31,-31.75,;16.63,-30.43,;15.86,-29.09,;18.17,-30.44,;21.62,-34.27,;20.26,-34.99,;20.2,-36.52,;21.51,-37.34,;22.87,-36.62,;24.18,-37.43,;22.92,-35.08,;24.28,-34.35,)|
Show InChI InChI=1S/C23H19Cl2F2N5O/c24-14-7-4-8-17(18(14)27)32-20(13-9-10-16(26)15(25)11-13)19(22-30-31-23(28)33-22)29-21(32)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H2,28,31)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012593
PNG
(CHEMBL3260820)
Show SMILES Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1c(CC(=O)Nc2ccccc2)ccc(Cl)c1F |(48.79,-24.38,;48.74,-25.92,;47.46,-26.78,;47.89,-28.26,;49.43,-28.31,;49.96,-26.86,;50.3,-29.59,;51.84,-29.64,;52.26,-31.12,;53.71,-31.65,;53.97,-33.17,;55.42,-33.7,;56.6,-32.71,;56.33,-31.19,;54.88,-30.66,;50.99,-31.98,;49.77,-31.03,;48.24,-31.03,;47.47,-32.35,;45.93,-32.35,;45.16,-31.01,;43.62,-31,;45.94,-29.68,;45.17,-28.34,;47.48,-29.69,;50.93,-33.51,;49.57,-34.23,;48.26,-33.42,;46.9,-34.13,;45.6,-33.32,;46.84,-35.67,;45.48,-36.39,;44.18,-35.57,;42.82,-36.29,;42.77,-37.83,;44.08,-38.65,;45.43,-37.93,;49.51,-35.77,;50.82,-36.59,;52.18,-35.86,;53.49,-36.68,;52.23,-34.33,;53.59,-33.6,)|
Show InChI InChI=1S/C31H26Cl2F2N6O2/c32-21-13-11-19(16-24(42)37-20-9-5-2-6-10-20)27(25(21)35)41-28(18-12-14-23(34)22(33)15-18)26(30-39-40-31(36)43-30)38-29(41)17-7-3-1-4-8-17/h2,5-6,9-15,17H,1,3-4,7-8,16H2,(H2,36,40)(H,37,42)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3018
PNG
(3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyraz...)
Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1
Show InChI InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3021
PNG
(3-((4-Methoxybenzyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Show InChI InChI=1S/C19H17ClN6O/c1-27-15-7-5-12(6-8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-4-2-3-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012594
PNG
(CHEMBL3260811)
Show SMILES OC(=O)c1nc(-c2ccccc2)n(c1-c1cccc(Cl)c1)-c1cccc(Cl)c1F |(41.13,-1.76,;40.46,-3.15,;38.92,-3.25,;41.32,-4.43,;42.86,-4.48,;43.29,-5.96,;44.73,-6.49,;44.99,-8.01,;46.44,-8.54,;47.62,-7.55,;47.35,-6.03,;45.91,-5.5,;42.01,-6.82,;40.8,-5.87,;39.26,-5.87,;38.49,-7.19,;36.95,-7.19,;36.18,-5.85,;36.96,-4.52,;36.19,-3.18,;38.5,-4.53,;41.95,-8.36,;40.59,-9.08,;40.53,-10.61,;41.84,-11.43,;43.21,-10.7,;44.51,-11.52,;43.26,-9.17,;44.61,-8.44,)|
Show InChI InChI=1S/C22H13Cl2FN2O2/c23-15-9-4-8-14(12-15)20-19(22(28)29)26-21(13-6-2-1-3-7-13)27(20)17-11-5-10-16(24)18(17)25/h1-12H,(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3012
PNG
(3-((4-Hydroxyphenyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Show InChI InChI=1S/C17H13ClN6O/c18-10-2-1-3-12(8-10)22-15-14-16(20-9-19-15)23-24-17(14)21-11-4-6-13(25)7-5-11/h1-9,25H,(H3,19,20,21,22,23,24)
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n/an/a 8n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3013
PNG
(3-((3-Methoxyphenyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES COc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Show InChI InChI=1S/C18H15ClN6O/c1-26-14-7-3-6-13(9-14)23-18-15-16(20-10-21-17(15)24-25-18)22-12-5-2-4-11(19)8-12/h2-10H,1H3,(H3,20,21,22,23,24,25)
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n/an/a 8n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3020
PNG
(3-((3-Methoxybenzyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Show InChI InChI=1S/C19H17ClN6O/c1-27-15-7-2-4-12(8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-6-3-5-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
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n/an/a 8n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012595
PNG
(CHEMBL3260812)
Show SMILES Cc1cccc(c1)-c1nc(C(O)=O)c(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1C |(65.23,-4.64,;64.05,-5.63,;64.32,-7.16,;63.14,-8.15,;61.7,-7.62,;61.43,-6.1,;62.61,-5.11,;59.99,-5.57,;59.57,-4.09,;58.02,-4.03,;57.16,-2.75,;57.83,-1.37,;55.62,-2.86,;57.5,-5.48,;55.96,-5.47,;55.19,-6.8,;53.66,-6.8,;52.88,-5.46,;53.66,-4.12,;52.9,-2.79,;55.2,-4.13,;58.71,-6.43,;58.66,-7.96,;59.96,-8.77,;59.91,-10.31,;61.22,-11.12,;58.54,-11.04,;57.24,-10.22,;57.29,-8.68,;55.99,-7.86,)|
Show InChI InChI=1S/C24H18Cl2N2O2/c1-14-5-3-7-17(11-14)23-27-21(24(29)30)22(16-6-4-8-18(25)12-16)28(23)20-13-19(26)10-9-15(20)2/h3-13H,1-2H3,(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM201
PNG
((2S)-N-[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-ac...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 8.5n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50121980
PNG
(CHEMBL347537 | N-(3-Isoquinolin-4-yl-phenyl)-2-[(p...)
Show SMILES O=C(Nc1cccc(c1)-c1cncc2ccccc12)c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C28H22N4O/c33-28(25-10-3-4-11-27(25)31-17-20-12-14-29-15-13-20)32-23-8-5-7-21(16-23)26-19-30-18-22-6-1-2-9-24(22)26/h1-16,18-19,31H,17H2,(H,32,33)
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n/an/a 9n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2 (VEGFR-2)


J Med Chem 45: 5687-93 (2002)


BindingDB Entry DOI: 10.7270/Q2ZK5HDN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM201
PNG
((2S)-N-[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-ac...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 9n/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease at pH 6 using 164 microM peptide substrate


Bioorg Med Chem Lett 3: 2837-2842 (1993)


Article DOI: 10.1016/S0960-894X(01)80775-7
BindingDB Entry DOI: 10.7270/Q22F7NC5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281324
PNG
(((S)-1-{N'-[(2S,3S)-3-((S)-2-Benzyloxycarbonylamin...)
Show SMILES CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C40H55N5O7/c1-27(2)23-45(44-38(48)36(29(5)6)43-40(50)52-26-32-20-14-9-15-21-32)24-34(46)33(22-30-16-10-7-11-17-30)41-37(47)35(28(3)4)42-39(49)51-25-31-18-12-8-13-19-31/h7-21,27-29,33-36,46H,22-26H2,1-6H3,(H,41,47)(H,42,49)(H,43,50)(H,44,48)/t33-,34-,35-,36-/m0/s1
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n/an/a 10n/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease at pH 6 using 164 microM peptide substrate


Bioorg Med Chem Lett 3: 2837-2842 (1993)


Article DOI: 10.1016/S0960-894X(01)80775-7
BindingDB Entry DOI: 10.7270/Q22F7NC5
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50012596
PNG
(CHEMBL3260810)
Show SMILES Cc1ccc(Cl)cc1-n1c(nc(C(O)=O)c1-c1cccc(Cl)c1)-c1ccccc1 |(21.82,-8.31,;23.13,-9.13,;23.07,-10.66,;24.38,-11.48,;25.74,-10.75,;27.05,-11.57,;25.79,-9.22,;24.49,-8.41,;24.55,-6.87,;25.82,-6.01,;25.4,-4.53,;23.86,-4.48,;22.99,-3.2,;23.67,-1.81,;21.46,-3.31,;23.33,-5.92,;21.8,-5.92,;21.03,-7.24,;19.49,-7.24,;18.72,-5.9,;19.5,-4.57,;18.73,-3.23,;21.04,-4.58,;27.27,-6.54,;27.53,-8.06,;28.98,-8.59,;30.16,-7.6,;29.89,-6.08,;28.44,-5.56,)|
Show InChI InChI=1S/C23H16Cl2N2O2/c1-14-10-11-18(25)13-19(14)27-21(16-8-5-9-17(24)12-16)20(23(28)29)26-22(27)15-6-3-2-4-7-15/h2-13H,1H3,(H,28,29)
PDB
MMDB

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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199575
PNG
((1-(4-chlorophenoxy)-9-((1-methylpiperidin-4-yl)me...)
Show SMILES CN1CCC(Cn2c3ccccc3c3cc(cc(Oc4ccc(Cl)cc4)c23)C(=O)N2CCN(C)CC2)CC1
Show InChI InChI=1S/C31H35ClN4O2/c1-33-13-11-22(12-14-33)21-36-28-6-4-3-5-26(28)27-19-23(31(37)35-17-15-34(2)16-18-35)20-29(30(27)36)38-25-9-7-24(32)8-10-25/h3-10,19-20,22H,11-18,21H2,1-2H3
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM274296
PNG
(Ethyl (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,...)
Show SMILES CCOC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274297
PNG
(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][1,2...)
Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274298
PNG
(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274304
PNG
(1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...)
Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274310
PNG
(1-(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-meth...)
Show SMILES CNC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2n1)c1ccc(Cl)cc1
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274318
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-2-(3,6-dihydro-2H...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C1=CCOCC1)n2C)c1ccc(Cl)cc1 |t:26|
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM274318
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-2-(3,6-dihydro-2H...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C1=CCOCC1)n2C)c1ccc(Cl)cc1 |t:26|
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274319
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...)
Show SMILES COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |(5.51,-2.51,;4.74,-1.18,;5.51,.15,;7.05,.15,;7.82,1.49,;7.05,2.82,;5.51,2.82,;4.74,1.49,;3.2,1.49,;2.3,2.73,;2.7,4.22,;3.79,5.31,;2.3,5.71,;.83,2.26,;-.63,2.73,;-1.4,4.07,;-1.54,1.49,;-.63,.24,;.83,.72,;2.3,.24,;3.07,-1.09,;-1.03,-1.25,;.06,-2.33,;-.34,-3.82,;-1.83,-4.22,;-2.23,-5.71,;-2.92,-3.13,;-2.52,-1.64,;-3.08,1.49,;-3.85,2.82,;-5.39,2.82,;-6.16,4.15,;-6.16,1.49,;-7.66,1.17,;-7.82,-.36,;-6.42,-.99,;-6.02,-2.48,;-5.39,.15,;-3.85,.15,)|
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM274319
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...)
Show SMILES COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |(5.51,-2.51,;4.74,-1.18,;5.51,.15,;7.05,.15,;7.82,1.49,;7.05,2.82,;5.51,2.82,;4.74,1.49,;3.2,1.49,;2.3,2.73,;2.7,4.22,;3.79,5.31,;2.3,5.71,;.83,2.26,;-.63,2.73,;-1.4,4.07,;-1.54,1.49,;-.63,.24,;.83,.72,;2.3,.24,;3.07,-1.09,;-1.03,-1.25,;.06,-2.33,;-.34,-3.82,;-1.83,-4.22,;-2.23,-5.71,;-2.92,-3.13,;-2.52,-1.64,;-3.08,1.49,;-3.85,2.82,;-5.39,2.82,;-6.16,4.15,;-6.16,1.49,;-7.66,1.17,;-7.82,-.36,;-6.42,-.99,;-6.02,-2.48,;-5.39,.15,;-3.85,.15,)|
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274322
PNG
(Ethyl 6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4...)
Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1C1=CCOCC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |t:17|
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM274322
PNG
(Ethyl 6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4...)
Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1C1=CCOCC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |t:17|
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274323
PNG
(Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...)
Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |(.92,-4.8,;2.01,-3.71,;1.61,-2.22,;2.7,-1.14,;4.18,-1.53,;2.3,.35,;.83,.83,;-.63,.35,;-1.54,1.6,;-.63,2.84,;-1.4,4.18,;.83,2.37,;2.3,2.84,;3.07,4.18,;3.2,1.6,;4.74,1.6,;5.51,.26,;7.05,.26,;7.82,1.6,;7.05,2.93,;5.51,2.93,;4.74,4.26,;5.51,5.6,;-3.08,1.6,;-3.85,2.93,;-5.39,2.93,;-6.16,4.26,;-6.16,1.6,;-7.66,1.28,;-7.82,-.25,;-6.42,-.88,;-6.02,-2.37,;-5.39,.26,;-3.85,.26,;-1.03,-1.14,;.06,-2.22,;-.34,-3.71,;-1.83,-4.11,;-2.23,-5.6,;-2.92,-3.02,;-2.52,-1.53,)|
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274336
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1 |r,t:19|
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM274222
PNG
(1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...)
Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM274222
PNG
(1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...)
Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM274222
PNG
(1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...)
Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
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US Patent US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM318840
PNG
((R)-6-4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethy...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r,c:2|
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US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM318840
PNG
((R)-6-4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethy...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r,c:2|
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US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
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US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
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