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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'ueno' and Initial = 'n'   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50262566
PNG
((2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluorometh...)
Show SMILES COc1cc2CCO[C@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H29F3N2O2/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3/t20-,22-,23+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50262395
PNG
(CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...)
Show SMILES COc1cc2CCC(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H27F3N2O/c1-29-21-13-16-9-10-19(23(24,25)26)18(16)12-17(21)14-28-20-8-5-11-27-22(20)15-6-3-2-4-7-15/h2-4,6-7,12-13,19-20,22,27-28H,5,8-11,14H2,1H3/t19?,20-,22-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50067935
PNG
((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...)
Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50262280
PNG
(CHEMBL513351 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)C(F)(F)F |r|
Show InChI InChI=1S/C22H27F3N2O/c1-15(22(23,24)25)17-10-11-20(28-2)18(13-17)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t15?,19-,21-/m0/s1
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70n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50262510
PNG
(CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...)
Show SMILES COc1cc2CCCC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H31F3N2O/c1-24(25(26,27)28)12-6-10-18-15-22(31-2)19(14-20(18)24)16-30-21-11-7-13-29-23(21)17-8-4-3-5-9-17/h3-5,8-9,14-15,21,23,29-30H,6-7,10-13,16H2,1-2H3/t21-,23-,24?/m0/s1
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120n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50262567
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccc(cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)C(C)C |r,wU:17.20,10.10,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(.74,-13.01,;.74,-14.67,;2.18,-15.49,;3.61,-14.66,;5.05,-15.48,;5.05,-17.15,;3.62,-17.97,;2.19,-17.14,;.76,-17.96,;-.58,-17.19,;-1.91,-17.96,;-2.8,-19.32,;-2.33,-21.05,;-3.83,-21.05,;-4.29,-19.38,;-6.02,-19.06,;-4.78,-18.76,;-3.44,-18.05,;-4.22,-16.72,;-3.46,-15.38,;-1.93,-15.38,;-1.17,-14.04,;-1.95,-12.72,;-3.49,-12.73,;-4.24,-14.06,;-5.76,-16.73,;-6.52,-15.41,;-8.06,-15.41,;-8.81,-16.74,;-8.02,-18.07,;-6.51,-18.06,;6.49,-17.97,;6.49,-19.63,;7.92,-17.14,)|
Show InChI InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1
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420n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50262279
PNG
((2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)...)
Show SMILES COc1cc2COC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H27F3N2O2/c1-22(23(24,25)26)18-11-16(20(29-2)12-17(18)14-30-22)13-28-19-9-6-10-27-21(19)15-7-4-3-5-8-15/h3-5,7-8,11-12,19,21,27-28H,6,9-10,13-14H2,1-2H3/t19-,21-,22?/m0/s1
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660n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50224198
PNG
((2S,3S)-N-(2-methoxy-5-(1,1,1-trifluoro-2-methylpr...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)(C)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F3N2O/c1-22(2,23(24,25)26)18-11-12-20(29-3)17(14-18)15-28-19-10-7-13-27-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21,27-28H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1
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840n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50262337
PNG
((2S,3S)-N-(5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F6N2O/c1-31-18-10-9-15(20(21(23,24)25)22(26,27)28)12-16(18)13-30-17-8-5-11-29-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19-20,29-30H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50262281
PNG
((2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzy...)
Show SMILES COc1ccc(CC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C21H25F3N2O/c1-27-19-10-9-15(13-21(22,23)24)12-17(19)14-26-18-8-5-11-25-20(18)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18,20,25-26H,5,8,11,13-14H2,1H3/t18-,20-/m0/s1
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4.25E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human CYP2D6 using bufuralol as substrate


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262279
PNG
((2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)...)
Show SMILES COc1cc2COC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H27F3N2O2/c1-22(23(24,25)26)18-11-16(20(29-2)12-17(18)14-30-22)13-28-19-9-6-10-27-21(19)15-7-4-3-5-8-15/h3-5,7-8,11-12,19,21,27-28H,6,9-10,13-14H2,1-2H3/t19-,21-,22?/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50224198
PNG
((2S,3S)-N-(2-methoxy-5-(1,1,1-trifluoro-2-methylpr...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)(C)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F3N2O/c1-22(2,23(24,25)26)18-11-12-20(29-3)17(14-18)15-28-19-10-7-13-27-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21,27-28H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262510
PNG
(CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...)
Show SMILES COc1cc2CCCC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H31F3N2O/c1-24(25(26,27)28)12-6-10-18-15-22(31-2)19(14-20(18)24)16-30-21-11-7-13-29-23(21)17-8-4-3-5-9-17/h3-5,8-9,14-15,21,23,29-30H,6-7,10-13,16H2,1-2H3/t21-,23-,24?/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262510
PNG
(CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...)
Show SMILES COc1cc2CCCC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H31F3N2O/c1-24(25(26,27)28)12-6-10-18-15-22(31-2)19(14-20(18)24)16-30-21-11-7-13-29-23(21)17-8-4-3-5-9-17/h3-5,8-9,14-15,21,23,29-30H,6-7,10-13,16H2,1-2H3/t21-,23-,24?/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50261732
PNG
((2S,3S)-N-(((S)-6-methoxy-1-methyl-1-(trifluoromet...)
Show SMILES COc1cc2CCO[C@@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H29F3N2O2/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3/t20-,22-,23-/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262395
PNG
(CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...)
Show SMILES COc1cc2CCC(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H27F3N2O/c1-29-21-13-16-9-10-19(23(24,25)26)18(16)12-17(21)14-28-20-8-5-11-27-22(20)15-6-3-2-4-7-15/h2-4,6-7,12-13,19-20,22,27-28H,5,8-11,14H2,1H3/t19?,20-,22-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067935
PNG
((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...)
Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262280
PNG
(CHEMBL513351 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)C(F)(F)F |r|
Show InChI InChI=1S/C22H27F3N2O/c1-15(22(23,24)25)17-10-11-20(28-2)18(13-17)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t15?,19-,21-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262453
PNG
(CHEMBL479049 | R/S-(2S,3S)-N-((3-methoxy-8-(triflu...)
Show SMILES COc1cc2CCCC(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H29F3N2O/c1-30-22-14-17-9-5-10-20(24(25,26)27)19(17)13-18(22)15-29-21-11-6-12-28-23(21)16-7-3-2-4-8-16/h2-4,7-8,13-14,20-21,23,28-29H,5-6,9-12,15H2,1H3/t20?,21-,23-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262336
PNG
(CHEMBL468163 | R/S-(2S,3S)-N-(2-methoxy-5-(1,2,2,2...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)C(F)(F)F |r|
Show InChI InChI=1S/C21H24F4N2O/c1-28-18-10-9-15(20(22)21(23,24)25)12-16(18)13-27-17-8-5-11-26-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19-20,26-27H,5,8,11,13H2,1H3/t17-,19-,20?/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262281
PNG
((2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzy...)
Show SMILES COc1ccc(CC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C21H25F3N2O/c1-27-19-10-9-15(13-21(22,23)24)12-17(19)14-26-18-8-5-11-25-20(18)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18,20,25-26H,5,8,11,13-14H2,1H3/t18-,20-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262394
PNG
(CHEMBL515935 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)(OC)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F3N2O2/c1-22(30-3,23(24,25)26)18-11-12-20(29-2)17(14-18)15-28-19-10-7-13-27-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21,27-28H,7,10,13,15H2,1-3H3/t19-,21-,22?/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50262395
PNG
(CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...)
Show SMILES COc1cc2CCC(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H27F3N2O/c1-29-21-13-16-9-10-19(23(24,25)26)18(16)12-17(21)14-28-20-8-5-11-27-22(20)15-6-3-2-4-7-15/h2-4,6-7,12-13,19-20,22,27-28H,5,8-11,14H2,1H3/t19?,20-,22-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365165
PNG
(CHEMBL1950017)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 5.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365164
PNG
(CHEMBL1950016)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(Cl)c(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H12ClFN2O3/c1-8-2-3-20-14(4-8)17(24)16-10(6-15(22)23)9-5-12(19)11(18)7-13(9)21-16/h2-5,7,21H,6H2,1H3,(H,22,23)
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365168
PNG
(CHEMBL1950020)
Show SMILES OC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(=O)c1cc2CCCCc2cn1
Show InChI InChI=1S/C20H17ClN2O3/c21-13-5-6-14-15(9-18(24)25)19(23-16(14)8-13)20(26)17-7-11-3-1-2-4-12(11)10-22-17/h5-8,10,23H,1-4,9H2,(H,24,25)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365167
PNG
(CHEMBL1950019)
Show SMILES CCc1cc(ncc1Cl)C(=O)c1[nH]c2cc(Cl)ccc2c1CC(O)=O
Show InChI InChI=1S/C18H14Cl2N2O3/c1-2-9-5-15(21-8-13(9)20)18(25)17-12(7-16(23)24)11-4-3-10(19)6-14(11)22-17/h3-6,8,22H,2,7H2,1H3,(H,23,24)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365162
PNG
(CHEMBL1950014)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365160
PNG
(CHEMBL1950012)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(cc2c1CC(O)=O)C(C)(C)C
Show InChI InChI=1S/C21H22N2O3/c1-12-7-8-22-17(9-12)20(26)19-15(11-18(24)25)14-10-13(21(2,3)4)5-6-16(14)23-19/h5-10,23H,11H2,1-4H3,(H,24,25)
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n/an/a 42n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Sodium channel protein type II alpha subunit


(Rattus norvegicus)
BDBM50262566
PNG
((2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluorometh...)
Show SMILES COc1cc2CCO[C@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H29F3N2O2/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3/t20-,22-,23+/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]batrachotoxinin from rat sodium channel type 2A subunit expressed in CHO-CNa2A cells by whole cell patch clamp technique


Bioorg Med Chem 16: 7193-205 (2008)


Article DOI: 10.1016/j.bmc.2008.06.047
BindingDB Entry DOI: 10.7270/Q2RV0NHN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50365164
PNG
(CHEMBL1950016)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(Cl)c(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H12ClFN2O3/c1-8-2-3-20-14(4-8)17(24)16-10(6-15(22)23)9-5-12(19)11(18)7-13(9)21-16/h2-5,7,21H,6H2,1H3,(H,22,23)
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n/an/a 66n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365164
PNG
(CHEMBL1950016)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(Cl)c(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H12ClFN2O3/c1-8-2-3-20-14(4-8)17(24)16-10(6-15(22)23)9-5-12(19)11(18)7-13(9)21-16/h2-5,7,21H,6H2,1H3,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365158
PNG
(CHEMBL1950010)
Show SMILES COc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 128n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365166
PNG
(CHEMBL1950018)
Show SMILES COc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-8-11(24-2)3-4-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 128n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50365165
PNG
(CHEMBL1950017)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 150n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365165
PNG
(CHEMBL1950017)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 150n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 155n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365159
PNG
(CHEMBL1950011)
Show SMILES CCc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-13-14(10-17(22)23)18(21-15(13)9-12)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 414n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365163
PNG
(CHEMBL1950015)
Show SMILES CCc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C19H15F3N2O4/c1-2-10-5-6-23-15(7-10)18(27)17-13(9-16(25)26)12-8-11(28-19(20,21)22)3-4-14(12)24-17/h3-8,24H,2,9H2,1H3,(H,25,26)
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n/an/a 421n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365169
PNG
(CHEMBL1950021)
Show SMILES CCOc1cnc(cc1CC)C(=O)c1[nH]c2cc(Cl)ccc2c1CC(O)=O
Show InChI InChI=1S/C20H19ClN2O4/c1-3-11-7-16(22-10-17(11)27-4-2)20(26)19-14(9-18(24)25)13-6-5-12(21)8-15(13)23-19/h5-8,10,23H,3-4,9H2,1-2H3,(H,24,25)
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n/an/a 598n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 849n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50365162
PNG
(CHEMBL1950014)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50365160
PNG
(CHEMBL1950012)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(cc2c1CC(O)=O)C(C)(C)C
Show InChI InChI=1S/C21H22N2O3/c1-12-7-8-22-17(9-12)20(26)19-15(11-18(24)25)14-10-13(21(2,3)4)5-6-16(14)23-19/h5-10,23H,11H2,1-4H3,(H,24,25)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365162
PNG
(CHEMBL1950014)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365158
PNG
(CHEMBL1950010)
Show SMILES COc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50365166
PNG
(CHEMBL1950018)
Show SMILES COc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-8-11(24-2)3-4-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
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