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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'gibbons' and Initial = 'cp'   
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 2C


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314616
PNG
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)
Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314618
PNG
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)
Show SMILES Fc1cc(ccc1CNC(=O)N1CCNCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314623
PNG
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)
Show SMILES O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314624
PNG
((S)-N-((3',5'-dichlorobiphenyl-4-yl)methyl)pyrroli...)
Show SMILES Clc1cc(Cl)cc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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12.8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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13.7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314625
PNG
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)
Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r|
Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1
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23n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314615
PNG
((S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo...)
Show SMILES C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
Show InChI InChI=1S/C19H26F2N2O2/c1-12-4-6-14(7-5-12)25-18-15(20)9-13(10-16(18)21)11-23-19(24)17-3-2-8-22-17/h9-10,12,14,17,22H,2-8,11H2,1H3,(H,23,24)/t12-,14+,17-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314617
PNG
((2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6...)
Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r|
Show InChI InChI=1S/C20H25F2N3O4/c1-11-7-23-8-12(2)25(11)20(26)28-10-17-18(21)5-15(6-19(17)22)27-9-16-13(3)24-29-14(16)4/h5-6,11-12,23H,7-10H2,1-4H3/t11-,12+
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43n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314619
PNG
((2S,6R)-benzyl 2,6-dimethylpiperazine-1-carboxylat...)
Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C14H20N2O2/c1-11-8-15-9-12(2)16(11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12+
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83n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342539
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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84n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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167n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342547
PNG
(2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-12-3-2-4-13(9-12)10-16-18-11-14-5-7-17-8-6-15(14)19-16/h2-4,9,11,17H,5-8,10H2,1H3
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244n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342548
PNG
(2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C16H19N3/c1-12-4-2-3-5-13(12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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305n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342544
PNG
(2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5...)
Show SMILES FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2
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308n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314620
PNG
((S)-N-(4-(trifluoromethoxy)benzyl)pyrrolidine-2-ca...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11/h3-6,11,17H,1-2,7-8H2,(H,18,19)/t11-/m0/s1
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324n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342549
PNG
(2-(4-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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470n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314622
PNG
(3-(aminomethyl)-N-(4-(trifluoromethoxy)benzyl)benz...)
Show SMILES NCc1cccc(c1)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)23-14-6-4-11(5-7-14)10-21-15(22)13-3-1-2-12(8-13)9-20/h1-8H,9-10,20H2,(H,21,22)
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585n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314621
PNG
(CHEMBL1090400 | N-(4-(trifluoromethoxy)benzyl)pyrr...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2CCNC2)cc1
Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-3-1-9(2-4-11)7-18-12(19)10-5-6-17-8-10/h1-4,10,17H,5-8H2,(H,18,19)
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643n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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1.67E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
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1.72E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342545
PNG
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H16ClN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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1.85E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314625
PNG
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)
Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r|
Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314618
PNG
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)
Show SMILES Fc1cc(ccc1CNC(=O)N1CCNCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24)
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3.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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3.94E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314623
PNG
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)
Show SMILES O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1
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4.12E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314617
PNG
((2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6...)
Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r|
Show InChI InChI=1S/C20H25F2N3O4/c1-11-7-23-8-12(2)25(11)20(26)28-10-17-18(21)5-15(6-19(17)22)27-9-16-13(3)24-29-14(16)4/h5-6,11-12,23H,7-10H2,1-4H3/t11-,12+
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314620
PNG
((S)-N-(4-(trifluoromethoxy)benzyl)pyrrolidine-2-ca...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11/h3-6,11,17H,1-2,7-8H2,(H,18,19)/t11-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16384
PNG
(4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]t...)
Show SMILES COc1ccccc1-c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FN4O2/c1-28-18-5-3-2-4-17(18)22-26-25-19-11-8-15(12-27(19)22)21-20(24-13-29-21)14-6-9-16(23)10-7-14/h2-13H,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16385
PNG
(5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[3,4-a]pyridi...)
Show SMILES CCOc1ccccc1-c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O2/c1-2-29-19-6-4-3-5-18(19)23-27-26-20-12-9-16(13-28(20)23)22-21(25-14-30-22)15-7-10-17(24)11-8-15/h3-14H,2H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16390
PNG
(4-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-...)
Show SMILES CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
Show InChI InChI=1S/C19H14F2N4O/c1-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-26-17)13-4-3-12(20)8-14(13)21/h2-5,8-10H,6-7H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16392
PNG
(4-(2,4-difluorophenyl)-5-[3-(1-methylcyclobutyl)-[...)
Show SMILES CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
Show InChI InChI=1S/C20H16F2N4O/c1-20(7-2-8-20)19-25-24-16-6-3-12(10-26(16)19)18-17(23-11-27-18)14-5-4-13(21)9-15(14)22/h3-6,9-11H,2,7-8H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16393
PNG
(5-{3-tert-butyl-[1,2,4]triazolo[3,4-a]pyridin-6-yl...)
Show SMILES CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
Show InChI InChI=1S/C19H16F2N4O/c1-19(2,3)18-24-23-15-7-4-11(9-25(15)18)17-16(22-10-26-17)13-6-5-12(20)8-14(13)21/h4-10H,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16398
PNG
(4-(2,5-difluorophenyl)-5-[3-(1-methylcyclobutyl)-[...)
Show SMILES CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
Show InChI InChI=1S/C20H16F2N4O/c1-20(7-2-8-20)19-25-24-16-6-3-12(10-26(16)19)18-17(23-11-27-18)14-9-13(21)4-5-15(14)22/h3-6,9-11H,2,7-8H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16404
PNG
(5-{3-tert-butyl-[1,2,4]triazolo[3,4-a]pyridin-6-yl...)
Show SMILES CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H15F3N4O/c1-19(2,3)18-25-24-15-5-4-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h4-9H,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16346
PNG
(4-(4-chloro-2-fluorophenyl)-5-[3-(propan-2-yl)-[1,...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H14ClFN4O/c1-10(2)18-23-22-15-6-3-11(8-24(15)18)17-16(21-9-25-17)13-5-4-12(19)7-14(13)20/h3-10H,1-2H3
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n/an/a 2.20n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16401
PNG
(5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[3,4-a]p...)
Show SMILES CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H13F3N4O/c1-19(4-5-19)18-25-24-15-3-2-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h2-3,6-9H,4-5H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16348
PNG
(4-(2-chloro-4-fluorophenyl)-5-[3-(propan-2-yl)-[1,...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H14ClFN4O/c1-10(2)18-23-22-15-6-3-11(8-24(15)18)17-16(21-9-25-17)13-5-4-12(20)7-14(13)19/h3-10H,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16403
PNG
(5-[3-(1-methylcyclobutyl)-[1,2,4]triazolo[3,4-a]py...)
Show SMILES CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H15F3N4O/c1-20(5-2-6-20)19-26-25-16-4-3-11(9-27(16)19)18-17(24-10-28-18)12-7-14(22)15(23)8-13(12)21/h3-4,7-10H,2,5-6H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16405
PNG
(3-(2,5-difluorophenyl)-4-[3-(propan-2-yl)-[1,2,4]t...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1c[nH]nc1-c1cc(F)ccc1F
Show InChI InChI=1S/C18H15F2N5/c1-10(2)18-24-22-16-6-3-11(9-25(16)18)14-8-21-23-17(14)13-7-12(19)4-5-15(13)20/h3-10H,1-2H3,(H,21,23)
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n/an/a 2.80n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16340
PNG
(4-(2-chlorophenyl)-5-[3-(propan-2-yl)-[1,2,4]triaz...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1Cl
Show InChI InChI=1S/C18H15ClN4O/c1-11(2)18-22-21-15-8-7-12(9-23(15)18)17-16(20-10-24-17)13-5-3-4-6-14(13)19/h3-11H,1-2H3
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n/an/a 3n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16396
PNG
(4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-...)
Show SMILES CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
Show InChI InChI=1S/C19H14F2N4O/c1-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-26-17)13-8-12(20)3-4-14(13)21/h2-5,8-10H,6-7H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16351
PNG
(5-[3-(propan-2-yl)-[1,2,4]triazolo[3,4-a]pyridin-6...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H13F3N4O/c1-9(2)18-24-23-15-4-3-10(7-25(15)18)17-16(22-8-26-17)11-5-13(20)14(21)6-12(11)19/h3-9H,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16386
PNG
(5-{3-tert-butyl-[1,2,4]triazolo[3,4-a]pyridin-6-yl...)
Show SMILES CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O/c1-19(2,3)18-23-22-15-9-6-13(10-24(15)18)17-16(21-11-25-17)12-4-7-14(20)8-5-12/h4-11H,1-3H3
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16389
PNG
(5-{3-cyclopropyl-[1,2,4]triazolo[3,4-a]pyridin-6-y...)
Show SMILES Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)c(F)c1
Show InChI InChI=1S/C18H12F2N4O/c19-12-4-5-13(14(20)7-12)16-17(25-9-21-16)11-3-6-15-22-23-18(10-1-2-10)24(15)8-11/h3-10H,1-2H2
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
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