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Compile Data Set for Download or QSAR

Found 759 hits with Last Name = 'ryan' and Initial = 'k'   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334454
PNG
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 |r|
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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0.110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)|
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM93624
PNG
(5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...)
Show SMILES Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
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0.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)|
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014558
PNG
(ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...)
Show SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
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0.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334442
PNG
((S)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)
Show SMILES Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:6.5,(21.53,-4.9,;20.98,-3.46,;22.01,-1.72,;20.85,-.68,;20.86,.86,;19.52,1.63,;19.51,3.17,;18.18,3.93,;18.18,5.47,;19.52,6.24,;20.85,5.47,;20.85,3.94,;19.34,4.44,;19.66,5.08,;18.19,.86,;16.85,1.65,;18.19,-.68,;16.86,-1.45,;16.85,-2.99,;18.19,-3.76,;19.52,-2.99,;19.52,-1.45,)|
Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334453
PNG
((S)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...)
Show SMILES Cn1cc2CN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:6.5,(4.39,-34,;3.85,-32.56,;4.88,-30.82,;3.72,-29.78,;3.73,-28.24,;2.39,-27.47,;2.38,-25.93,;1.05,-25.17,;1.05,-23.63,;2.39,-22.86,;3.72,-23.63,;3.72,-25.16,;2.21,-24.66,;2.53,-24.02,;1.06,-28.24,;-.28,-27.45,;1.06,-29.78,;-.27,-30.55,;-.28,-32.09,;1.06,-32.86,;2.39,-32.09,;2.39,-30.55,)|
Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014553
PNG
(CHEMBL3261484)
Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(32.02,-14.44,;33.35,-13.67,;33.36,-12.13,;34.68,-11.36,;34.44,-9.83,;32.97,-9.38,;35.5,-8.68,;37.04,-8.8,;37.91,-10.07,;37.47,-11.55,;38.4,-12.89,;37.49,-14.15,;36.02,-13.67,;34.69,-14.44,;36.02,-12.12,;34.94,-7.25,;33.41,-7.03,;32.85,-5.59,;33.81,-4.38,;35.33,-4.62,;35.89,-6.05,;34.94,-5.01,;34.17,-6.35,)|
Show InChI InChI=1S/C18H22N4O/c1-12-8-14-10-19-22-7-6-21(18(23)15(9-12)17(14)22)16-11-20-4-2-13(16)3-5-20/h8-10,13,16H,2-7,11H2,1H3/t16-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334452
PNG
((R)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...)
Show SMILES Cn1cc2CN([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wU:6.5,(-3.65,-33.57,;-4.2,-32.13,;-3.17,-30.38,;-4.32,-29.35,;-4.32,-27.8,;-5.66,-27.04,;-5.66,-25.5,;-7,-24.74,;-6.99,-23.19,;-5.66,-22.42,;-4.33,-23.2,;-4.33,-24.73,;-5.83,-24.22,;-5.51,-23.59,;-6.98,-27.8,;-8.33,-27.02,;-6.99,-29.35,;-8.32,-30.12,;-8.32,-31.66,;-6.98,-32.43,;-5.66,-31.66,;-5.65,-30.12,)|
Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396942
PNG
(CHEMBL2170818)
Show SMILES C(c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cn[nH]c1
Show InChI InChI=1S/C17H12N8/c1-2-12-6-11(3-4-14(12)18-5-1)10-25-17-16(23-24-25)19-9-15(22-17)13-7-20-21-8-13/h1-9H,10H2,(H,20,21)
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396976
PNG
(CHEMBL2170969)
Show SMILES C[C@H](C(=O)NN=C1C(=O)Nc2c1c(Cl)ccc2C)c1ccc(O)cc1 |r,w:5.4|
Show InChI InChI=1S/C18H16ClN3O3/c1-9-3-8-13(19)14-15(9)20-18(25)16(14)21-22-17(24)10(2)11-4-6-12(23)7-5-11/h3-8,10,23H,1-2H3,(H,22,24)(H,20,21,25)/t10-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440904
PNG
(CHEMBL2431834)
Show SMILES C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H16N8/c1-12(13-5-6-16-14(8-13)4-3-7-20-16)27-19-18(24-25-27)21-10-17(23-19)15-9-22-26(2)11-15/h3-12H,1-2H3/t12-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334445
PNG
((S)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...)
Show SMILES CCn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:7.6,(47.4,-4.88,;48.37,-3.68,;47.82,-2.25,;48.85,-.5,;47.7,.54,;47.7,2.08,;46.36,2.85,;46.36,4.39,;45.02,5.15,;45.03,6.69,;46.36,7.46,;47.69,6.69,;47.69,5.16,;46.19,5.66,;46.5,6.3,;45.04,2.08,;43.69,2.87,;45.03,.54,;43.7,-.23,;43.7,-1.78,;45.04,-2.55,;46.36,-1.78,;46.36,-.23,)|
Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334439
PNG
((R)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)
Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:6.5,(12.29,-5.2,;11.75,-3.77,;12.77,-2.02,;11.62,-.98,;11.62,.56,;10.28,1.33,;10.28,2.87,;8.95,3.63,;8.95,5.17,;10.28,5.94,;11.61,5.17,;11.61,3.64,;10.11,4.14,;10.43,4.78,;8.96,.56,;7.61,1.35,;8.96,-.99,;7.62,-1.76,;7.62,-3.3,;8.96,-4.07,;10.29,-3.3,;10.29,-1.75,)|
Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159358
PNG
(CHEMBL3787386)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCC#C)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C20H14ClFN4O2/c1-3-7-28-18-10-16-13(9-17(18)26-19(27)4-2)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h1,4-6,8-11H,2,7H2,(H,26,27)(H,23,24,25)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334444
PNG
((R)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...)
Show SMILES CCn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:7.6,(39.2,-5.65,;40.17,-4.46,;39.63,-3.02,;40.65,-1.27,;39.5,-.24,;39.5,1.31,;38.16,2.07,;38.16,3.61,;36.83,4.37,;36.83,5.92,;38.16,6.69,;39.49,5.91,;39.49,4.38,;37.99,4.89,;38.31,5.52,;36.84,1.31,;35.49,2.09,;36.84,-.24,;35.5,-1.01,;35.5,-2.55,;36.84,-3.32,;38.16,-2.55,;38.17,-1.01,)|
Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334443
PNG
((R)-4-fluoro-2-methyl-7-(quinuclidin-3-yl)-7,8-dih...)
Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cc(F)cc1c23 |r,wU:6.5,(31.37,-5.57,;30.82,-4.13,;31.85,-2.38,;30.7,-1.35,;30.7,.2,;29.36,.96,;29.36,2.5,;28.02,3.26,;28.03,4.81,;29.36,5.58,;30.69,4.8,;30.69,3.27,;29.19,3.77,;29.51,4.41,;28.04,.2,;26.69,.98,;28.03,-1.35,;26.7,-2.12,;26.7,-3.66,;25.37,-4.43,;28.04,-4.43,;29.36,-3.66,;29.37,-2.12,)|
Show InChI InChI=1S/C17H19FN4O/c1-20-14-7-11(18)6-12-16(14)13(19-20)8-22(17(12)23)15-9-21-4-2-10(15)3-5-21/h6-8,10,15,19H,2-5,9H2,1H3/t15-/m0/s1
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2n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396954
PNG
(CHEMBL2170966)
Show SMILES CNc1snc(SCc2nnc3ncc(nn23)-c2ccc(F)cc2)c1C(N)=O
Show InChI InChI=1S/C16H13FN8OS2/c1-19-14-12(13(18)26)15(24-28-14)27-7-11-21-22-16-20-6-10(23-25(11)16)8-2-4-9(17)5-3-8/h2-6,19H,7H2,1H3,(H2,18,26)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334447
PNG
((S)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...)
Show SMILES CC(C)n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:8.7,(5.55,-19.44,;6.52,-18.25,;8.03,-18.49,;5.97,-16.81,;7,-15.06,;5.85,-14.02,;5.85,-12.48,;4.51,-11.71,;4.5,-10.18,;3.17,-9.41,;3.17,-7.87,;4.51,-7.1,;5.84,-7.87,;5.84,-9.4,;4.33,-8.9,;4.65,-8.27,;3.18,-12.48,;1.84,-11.7,;3.18,-14.03,;1.85,-14.8,;1.84,-16.34,;3.18,-17.11,;4.51,-16.34,;4.51,-14.8,)|
Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334448
PNG
((S)-2-isobutyl-7-(quinuclidin-3-yl)-7,8-dihydropyr...)
Show SMILES CC(C)Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:9.8,(15.89,-21.07,;15.34,-19.64,;13.82,-19.39,;16.31,-18.44,;15.77,-17.01,;16.79,-15.26,;15.64,-14.22,;15.64,-12.68,;14.3,-11.91,;14.3,-10.37,;12.97,-9.61,;12.97,-8.07,;14.3,-7.3,;15.63,-8.07,;15.63,-9.6,;14.13,-9.1,;14.45,-8.46,;12.98,-12.68,;11.63,-11.89,;12.98,-14.22,;11.64,-14.99,;11.64,-16.54,;12.98,-17.31,;14.31,-16.54,;14.31,-14.99,)|
Show InChI InChI=1S/C20H26N4O/c1-13(2)10-24-17-5-3-4-15-19(17)16(21-24)11-23(20(15)25)18-12-22-8-6-14(18)7-9-22/h3-5,11,13-14,18,21H,6-10,12H2,1-2H3/t18-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440905
PNG
(CHEMBL2431835)
Show SMILES C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1 |r|
Show InChI InChI=1S/C20H18N8O/c1-13(14-4-5-17-15(9-14)3-2-6-21-17)28-20-19(25-26-28)22-11-18(24-20)16-10-23-27(12-16)7-8-29/h2-6,9-13,29H,7-8H2,1H3/t13-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159352
PNG
(CHEMBL3786802)
Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3C(F)(F)F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
Show InChI InChI=1/C19H19ClF3N7O2/c1-3-14(31)30-6-10(12(8-30)19(21,22)23)9-32-17-15-13(20)5-24-16(15)27-18(28-17)26-11-4-25-29(2)7-11/h3-5,7,10,12H,1,6,8-9H2,2H3,(H2,24,26,27,28)/t10-,12+/s2
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159353
PNG
(CHEMBL3787220)
Show SMILES Cn1cc(Nc2nc(OC[C@H]3CN(C[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
Show InChI InChI=1/C18H19ClFN7O2/c1-3-14(28)27-6-10(13(20)8-27)9-29-17-15-12(19)5-21-16(15)24-18(25-17)23-11-4-22-26(2)7-11/h3-5,7,10,13H,1,6,8-9H2,2H3,(H2,21,23,24,25)/t10-,13+/s2
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159349
PNG
(CHEMBL3786962)
Show SMILES Cn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1
Show InChI InChI=1S/C19H17N7O2/c1-3-16(27)22-12-5-4-6-14(9-12)28-18-15-7-8-20-17(15)24-19(25-18)23-13-10-21-26(2)11-13/h3-11H,1H2,2H3,(H,22,27)(H2,20,23,24,25)
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440879
PNG
(CHEMBL2431824)
Show SMILES COc1ccc(cc1C)-c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1 |r|
Show InChI InChI=1S/C24H21N5O/c1-15-13-19(7-10-22(15)30-3)21-9-11-23-26-27-24(29(23)28-21)16(2)17-6-8-20-18(14-17)5-4-12-25-20/h4-14,16H,1-3H3/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014548
PNG
(CHEMBL3261479 | US9045501, 2)
Show SMILES O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|
Show InChI InChI=1S/C18H21N3O/c22-18-15-3-1-2-14-6-9-20(17(14)15)10-11-21(18)16-12-19-7-4-13(16)5-8-19/h1-3,6,9,13,16H,4-5,7-8,10-12H2/t16-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334446
PNG
((R)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...)
Show SMILES CC(C)n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:8.7,(-3.99,-20.22,;-3.02,-19.03,;-1.5,-19.27,;-3.56,-17.59,;-2.53,-15.84,;-3.69,-14.8,;-3.68,-13.26,;-5.02,-12.49,;-5.03,-10.95,;-6.36,-10.19,;-6.36,-8.65,;-5.02,-7.88,;-3.69,-8.65,;-3.69,-10.18,;-5.2,-9.68,;-4.88,-9.04,;-6.35,-13.26,;-7.7,-12.48,;-6.35,-14.81,;-7.69,-15.58,;-7.69,-17.12,;-6.35,-17.89,;-5.02,-17.12,;-5.02,-15.58,)|
Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440893
PNG
(CHEMBL2431822)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccc(F)c(F)c1)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C22H15F2N5/c1-13(14-5-7-19-15(11-14)3-2-10-25-19)22-27-26-21-9-8-20(28-29(21)22)16-4-6-17(23)18(24)12-16/h2-13H,1H3/t13-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440894
PNG
(CHEMBL2431823)
Show SMILES COc1ccc(cc1F)-c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1 |r|
Show InChI InChI=1S/C23H18FN5O/c1-14(15-5-7-19-16(12-15)4-3-11-25-19)23-27-26-22-10-8-20(28-29(22)23)17-6-9-21(30-2)18(24)13-17/h3-14H,1-2H3/t14-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159356
PNG
(CHEMBL3786523)
Show SMILES COC[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r|
Show InChI InChI=1/C20H24ClN7O3/c1-4-16(29)28-7-12(10-30-3)13(8-28)11-31-19-17-15(21)6-22-18(17)25-20(26-19)24-14-5-23-27(2)9-14/h4-6,9,12-13H,1,7-8,10-11H2,2-3H3,(H2,22,24,25,26)/t12-,13-/s2
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440896
PNG
(CHEMBL2431826)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1cccc(c1)C#N)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H16N6/c1-15(17-7-8-20-19(13-17)6-3-11-25-20)23-27-26-22-10-9-21(28-29(22)23)18-5-2-4-16(12-18)14-24/h2-13,15H,1H3/t15-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159360
PNG
(CHEMBL3786098)
Show SMILES CO[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C |r|
Show InChI InChI=1/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/s2
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396952
PNG
(CHEMBL2170968)
Show SMILES N#Cc1ccc(cc1)-c1cnc2nnc(Cc3c[nH]c4ncccc34)n2n1
Show InChI InChI=1S/C19H12N8/c20-9-12-3-5-13(6-4-12)16-11-23-19-25-24-17(27(19)26-16)8-14-10-22-18-15(14)2-1-7-21-18/h1-7,10-11H,8H2,(H,21,22)
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396970
PNG
(CHEMBL2170954)
Show SMILES CCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C16H15N7/c1-2-17-14-9-19-15-16(20-14)23(22-21-15)10-11-5-6-13-12(8-11)4-3-7-18-13/h3-9H,2,10H2,1H3,(H,17,20)
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440899
PNG
(CHEMBL2431829)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccc2OCCOc2c1)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C24H19N5O2/c1-15(16-4-6-19-17(13-16)3-2-10-25-19)24-27-26-23-9-7-20(28-29(23)24)18-5-8-21-22(14-18)31-12-11-30-21/h2-10,13-15H,11-12H2,1H3/t15-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334440
PNG
((R)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...)
Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:13.15,(-7.86,1.16,;-6.52,.38,;-5.19,1.14,;-3.85,.37,;-3.86,-1.17,;-2.7,-2.21,;-3.73,-3.95,;-5.19,-3.48,;-6.52,-4.25,;-7.86,-3.48,;-7.85,-1.94,;-6.52,-1.17,;-5.19,-1.94,;-5.2,2.68,;-6.53,3.44,;-6.53,4.98,;-5.19,5.75,;-3.86,4.98,;-3.86,3.45,;-5.37,3.95,;-5.05,4.59,)|
Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396947
PNG
(CHEMBL2169896)
Show SMILES Fc1ccc(cc1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-11-23-19-20(24-18)27(26-25-19)12-13-3-8-17-15(10-13)2-1-9-22-17/h1-11H,12H2
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4.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334441
PNG
((S)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...)
Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:13.15,(-.61,1.94,;.74,1.15,;2.06,1.92,;3.4,1.15,;3.4,-.39,;4.55,-1.43,;3.52,-3.18,;2.06,-2.71,;.74,-3.48,;-.6,-2.71,;-.6,-1.16,;.73,-.4,;2.07,-1.16,;2.06,3.46,;.72,4.22,;.73,5.76,;2.06,6.53,;3.39,5.76,;3.39,4.23,;1.89,4.73,;2.21,5.37,)|
Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396934
PNG
(CHEMBL2001019 | CHEMBL2170804 | US9062045, Compara...)
Show SMILES OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440895
PNG
(CHEMBL2431825)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1cccc(C)c1)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H19N5/c1-15-5-3-6-18(13-15)21-10-11-22-25-26-23(28(22)27-21)16(2)17-8-9-20-19(14-17)7-4-12-24-20/h3-14,16H,1-2H3/t16-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014556
PNG
(CHEMBL3261486 | US9045501, 25)
Show SMILES O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(7.11,-8.33,;8.59,-8.78,;9.64,-7.63,;11.18,-7.75,;12.05,-9.02,;11.61,-10.5,;10.17,-11.07,;8.83,-10.31,;7.5,-11.08,;7.5,-12.62,;8.83,-13.39,;10.16,-12.62,;11.64,-13.1,;12.55,-11.84,;14.09,-11.86,;9.08,-6.2,;7.55,-5.98,;6.99,-4.54,;7.95,-3.33,;9.47,-3.57,;10.03,-5,;9.08,-3.96,;8.32,-5.3,)|
Show InChI InChI=1S/C17H20N4O2/c22-16-12-2-1-3-13-15(12)21(17(23)18-13)9-8-20(16)14-10-19-6-4-11(14)5-7-19/h1-3,11,14H,4-10H2,(H,18,23)/t14-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396943
PNG
(CHEMBL2170816)
Show SMILES Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C18H14N8/c1-25-11-14(8-21-25)16-9-20-17-18(22-16)26(24-23-17)10-12-4-5-15-13(7-12)3-2-6-19-15/h2-9,11H,10H2,1H3
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396943
PNG
(CHEMBL2170816)
Show SMILES Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C18H14N8/c1-25-11-14(8-21-25)16-9-20-17-18(22-16)26(24-23-17)10-12-4-5-15-13(7-12)3-2-6-19-15/h2-9,11H,10H2,1H3
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396941
PNG
(CHEMBL2170819)
Show SMILES OC(=O)Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C19H14N8O2/c28-17(29)11-26-10-14(7-22-26)16-8-21-18-19(23-16)27(25-24-18)9-12-3-4-15-13(6-12)2-1-5-20-15/h1-8,10H,9,11H2,(H,28,29)
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396953
PNG
(CHEMBL2170967)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(Cc3ccc4ncccc4c3)n2n1
Show InChI InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-12-23-20-25-24-19(27(20)26-18)11-13-3-8-17-15(10-13)2-1-9-22-17/h1-10,12H,11H2
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440898
PNG
(CHEMBL2431828)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccccc1C#N)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H16N6/c1-15(16-8-9-20-17(13-16)6-4-12-25-20)23-27-26-22-11-10-21(28-29(22)23)19-7-3-2-5-18(19)14-24/h2-13,15H,1H3/t15-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396936
PNG
(CHEMBL2170949)
Show SMILES C(c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(c1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C21H19N9/c1-2-15-8-14(3-4-18(15)23-6-1)12-30-21-20(27-28-30)24-11-19(26-21)16-9-25-29(13-16)17-5-7-22-10-17/h1-4,6,8-9,11,13,17,22H,5,7,10,12H2/t17-/m1/s1
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6.14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
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