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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'philippe' and Initial = 'l'   
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
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215294
PNG
(2-(N-(6-chloro-7-methyl-2,3-dioxo-1,2,3,4-tetrahyd...)
Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CC(O)=O)S(C)(=O)=O)c1Cl
Show InChI InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215284
PNG
(2-(N-(7-chloro-6-methyl-2,3-dioxo-1,2,3,4-tetrahyd...)
Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C12H12ClN3O6S/c1-5-6(13)3-7-9(15-12(20)11(19)14-7)10(5)16(4-8(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215283
PNG
(2-(N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroqui...)
Show SMILES CS(=O)(=O)N(CC(O)=O)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C11H9Cl2N3O6S/c1-23(21,22)16(3-6(17)18)9-7(13)4(12)2-5-8(9)15-11(20)10(19)14-5/h2H,3H2,1H3,(H,14,19)(H,15,20)(H,17,18)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215282
PNG
(CHEMBL429296 | N-(6-chloro-7-methyl-2,3-dioxo-1,2,...)
Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCO)S(C)(=O)=O)c1Cl
Show InChI InChI=1S/C12H14ClN3O5S/c1-6-5-7-9(15-12(19)11(18)14-7)10(8(6)13)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215286
PNG
(CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215286
PNG
(CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215281
PNG
(CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215287
PNG
(CHEMBL247035 | N-(3-methoxybenzyl)-N-(6,7-dichloro...)
Show SMILES COc1cccc(CN(c2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)S(C)(=O)=O)c1
Show InChI InChI=1S/C17H15Cl2N3O5S/c1-27-10-5-3-4-9(6-10)8-22(28(2,25)26)15-13(19)11(18)7-12-14(15)21-17(24)16(23)20-12/h3-7H,8H2,1-2H3,(H,20,23)(H,21,24)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215296
PNG
(CHEMBL401849 | N-(7-chloro-6-methyl-2,3-dioxo-1,2,...)
Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CCO)S(C)(=O)=O
Show InChI InChI=1S/C12H14ClN3O5S/c1-6-7(13)5-8-9(15-12(19)11(18)14-8)10(6)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215285
PNG
(CHEMBL400508 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CCOCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C14H17Cl2N3O5S/c1-3-24-6-4-5-19(25(2,22)23)12-10(16)8(15)7-9-11(12)18-14(21)13(20)17-9/h7H,3-6H2,1-2H3,(H,17,20)(H,18,21)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215276
PNG
(CHEMBL399519 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215281
PNG
(CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215281
PNG
(CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215279
PNG
(CHEMBL248439 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES COCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C12H13Cl2N3O5S/c1-22-4-3-17(23(2,20)21)10-8(14)6(13)5-7-9(10)16-12(19)11(18)15-7/h5H,3-4H2,1-2H3,(H,15,18)(H,16,19)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215298
PNG
(CHEMBL399075 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CS(=O)(=O)N(CC1CCCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 |w:6.5|
Show InChI InChI=1S/C15H17Cl2N3O5S/c1-26(23,24)20(7-8-4-2-3-5-25-8)13-11(17)9(16)6-10-12(13)19-15(22)14(21)18-10/h6,8H,2-5,7H2,1H3,(H,18,21)(H,19,22)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215297
PNG
(CHEMBL247034 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CC(O)CN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O |w:1.0|
Show InChI InChI=1S/C12H13Cl2N3O5S/c1-5(18)4-17(23(2,21)22)10-8(14)6(13)3-7-9(10)16-12(20)11(19)15-7/h3,5,18H,4H2,1-2H3,(H,15,19)(H,16,20)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215292
PNG
(CHEMBL401100 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CS(=O)(=O)N(CCCO)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C12H13Cl2N3O5S/c1-23(21,22)17(3-2-4-18)10-8(14)6(13)5-7-9(10)16-12(20)11(19)15-7/h5,18H,2-4H2,1H3,(H,15,19)(H,16,20)
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215280
PNG
(CHEMBL248436 | N-(3-fluorobenzyl)-N-(6,7-dichloro-...)
Show SMILES CS(=O)(=O)N(Cc1cccc(F)c1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C16H12Cl2FN3O4S/c1-27(25,26)22(7-8-3-2-4-9(19)5-8)14-12(18)10(17)6-11-13(14)21-16(24)15(23)20-11/h2-6H,7H2,1H3,(H,20,23)(H,21,24)
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n/an/a 45n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215278
PNG
(CHEMBL248446 | N-(6-chloro-7-ethyl-2,3-dioxo-1,2,3...)
Show SMILES CCc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCCOC)S(C)(=O)=O)c1Cl
Show InChI InChI=1S/C15H20ClN3O5S/c1-4-9-8-10-12(18-15(21)14(20)17-10)13(11(9)16)19(25(3,22)23)6-5-7-24-2/h8H,4-7H2,1-3H3,(H,17,20)(H,18,21)
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n/an/a 49n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215277
PNG
(CHEMBL401253 | N-(7-chloro-6-ethyl-2,3-dioxo-1,2,3...)
Show SMILES CCc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CCO)S(C)(=O)=O
Show InChI InChI=1S/C13H16ClN3O5S/c1-3-7-8(14)6-9-10(16-13(20)12(19)15-9)11(7)17(4-5-18)23(2,21)22/h6,18H,3-5H2,1-2H3,(H,15,19)(H,16,20)
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n/an/a 58n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215295
PNG
(CHEMBL248438 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CS(=O)(=O)N(CC1CCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 |w:6.5|
Show InChI InChI=1S/C14H15Cl2N3O5S/c1-25(22,23)19(6-7-3-2-4-24-7)12-10(16)8(15)5-9-11(12)18-14(21)13(20)17-9/h5,7H,2-4,6H2,1H3,(H,17,20)(H,18,21)
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n/an/a 59n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215291
PNG
(CHEMBL248445 | N-(7-chloro-6-methyl-2,3-dioxo-1,2,...)
Show SMILES COCCN(c1c(C)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C13H16ClN3O5S/c1-7-8(14)6-9-10(16-13(19)12(18)15-9)11(7)17(4-5-22-2)23(3,20)21/h6H,4-5H2,1-3H3,(H,15,18)(H,16,19)
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n/an/a 74n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215288
PNG
(CHEMBL248444 | N-(6-chloro-7-methyl-2,3-dioxo-1,2,...)
Show SMILES COCCN(c1c(Cl)c(C)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C13H16ClN3O5S/c1-7-6-8-10(16-13(19)12(18)15-8)11(9(7)14)17(4-5-22-2)23(3,20)21/h6H,4-5H2,1-3H3,(H,15,18)(H,16,19)
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n/an/a 77n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215276
PNG
(CHEMBL399519 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23)
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n/an/a 109n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215276
PNG
(CHEMBL399519 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23)
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n/an/a 109n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215290
PNG
(CHEMBL399274 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CCOCCOCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C15H19Cl2N3O6S/c1-3-25-6-7-26-5-4-20(27(2,23)24)13-11(17)9(16)8-10-12(13)19-15(22)14(21)18-10/h8H,3-7H2,1-2H3,(H,18,21)(H,19,22)
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n/an/a 166n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81848
PNG
(Bipiperidinyl carboxylic acid amide, 20)
Show SMILES CCCCOc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)cc1
Show InChI InChI=1S/C32H46N6O3/c1-3-4-23-41-29-12-10-27(11-13-29)34-32(40)37-17-14-28(15-18-37)38-16-6-8-26(24-38)31(39)36-21-19-35(20-22-36)30-9-5-7-25(2)33-30/h5,7,9-13,26,28H,3-4,6,8,14-24H2,1-2H3,(H,34,40)
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n/an/a 200n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215293
PNG
(CHEMBL248442 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CCOCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C13H15Cl2N3O5S/c1-3-23-5-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)
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n/an/a 209n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215286
PNG
(CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)
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n/an/a 282n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50215289
PNG
(CHEMBL399700 | N-(7-chloro-2,3-dioxo-1,2,3,4-tetra...)
Show SMILES COCCCN(c1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C13H16ClN3O5S/c1-22-5-3-4-17(23(2,20)21)10-7-8(14)6-9-11(10)16-13(19)12(18)15-9/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,19)
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n/an/a 728n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.083
BindingDB Entry DOI: 10.7270/Q2QR4WTR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81834
PNG
(Bipiperidinyl carboxylic acid amide, 7)
Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C26H40ClN5O2/c1-26(2,3)28-25(34)31-13-10-21(11-14-31)32-12-6-7-20(19-32)24(33)30-17-15-29(16-18-30)23-9-5-4-8-22(23)27/h4-5,8-9,20-21H,6-7,10-19H2,1-3H3,(H,28,34)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81830
PNG
(Bipiperidinyl carboxylic acid amide, 3)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2Cl)c(C)c1
Show InChI InChI=1S/C30H40ClN5O3/c1-22-20-25(39-2)9-10-27(22)32-30(38)35-14-11-24(12-15-35)36-13-5-6-23(21-36)29(37)34-18-16-33(17-19-34)28-8-4-3-7-26(28)31/h3-4,7-10,20,23-24H,5-6,11-19,21H2,1-2H3,(H,32,38)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81837
PNG
(Bipiperidinyl carboxylic acid amide, 1)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C28H43N5O4/c1-3-4-20-37-28(36)29-27(35)32-14-11-24(12-15-32)33-13-7-9-23(21-33)26(34)31-18-16-30(17-19-31)25-10-6-5-8-22(25)2/h5-6,8,10,23-24H,3-4,7,9,11-21H2,1-2H3,(H,29,35,36)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81836
PNG
(Bipiperidinyl carboxylic acid amide, 9)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C27H42N6O4/c1-3-4-19-37-27(36)29-26(35)32-13-10-23(11-14-32)33-12-6-8-22(20-33)25(34)31-17-15-30(16-18-31)24-9-5-7-21(2)28-24/h5,7,9,22-23H,3-4,6,8,10-20H2,1-2H3,(H,29,35,36)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81832
PNG
(Bipiperidinyl carboxylic acid amide, 6)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H43N5O2/c1-21-8-5-6-10-24(21)29-16-18-30(19-17-29)25(33)22-9-7-13-32(20-22)23-11-14-31(15-12-23)26(34)28-27(2,3)4/h5-6,8,10,22-23H,7,9,11-20H2,1-4H3,(H,28,34)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81841
PNG
(Bipiperidinyl carboxylic acid amide, 13)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2C)c1
Show InChI InChI=1S/C31H43N5O2/c1-24-7-5-9-26(21-24)22-32-31(38)35-15-12-28(13-16-35)36-14-6-10-27(23-36)30(37)34-19-17-33(18-20-34)29-11-4-3-8-25(29)2/h3-5,7-9,11,21,27-28H,6,10,12-20,22-23H2,1-2H3,(H,32,38)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81842
PNG
(Bipiperidinyl carboxylic acid amide, 14)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2Cl)c1
Show InChI InChI=1S/C30H40ClN5O2/c1-23-6-4-7-24(20-23)21-32-30(38)35-14-11-26(12-15-35)36-13-5-8-25(22-36)29(37)34-18-16-33(17-19-34)28-10-3-2-9-27(28)31/h2-4,6-7,9-10,20,25-26H,5,8,11-19,21-22H2,1H3,(H,32,38)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81852
PNG
(Bipiperidinyl carboxylic acid amide, 24)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H42N6O2/c1-24-7-5-11-28(32-24)33-19-21-34(22-20-33)29(37)26-10-6-16-36(23-26)27-13-17-35(18-14-27)30(38)31-15-12-25-8-3-2-4-9-25/h2-5,7-9,11,26-27H,6,10,12-23H2,1H3,(H,31,38)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81840
PNG
(Bipiperidinyl carboxylic acid amide, 12)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)c1
Show InChI InChI=1S/C30H42N6O2/c1-23-6-3-8-25(20-23)21-31-30(38)35-14-11-27(12-15-35)36-13-5-9-26(22-36)29(37)34-18-16-33(17-19-34)28-10-4-7-24(2)32-28/h3-4,6-8,10,20,26-27H,5,9,11-19,21-22H2,1-2H3,(H,31,38)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81829
PNG
(Bipiperidinyl carboxylic acid amide, 2)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2C)c(C)c1
Show InChI InChI=1S/C31H43N5O3/c1-23-7-4-5-9-29(23)33-17-19-34(20-18-33)30(37)25-8-6-14-36(22-25)26-12-15-35(16-13-26)31(38)32-28-11-10-27(39-3)21-24(28)2/h4-5,7,9-11,21,25-26H,6,8,12-20,22H2,1-3H3,(H,32,38)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81844
PNG
(Bipiperidinyl carboxylic acid amide, 16)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H38N6O2/c1-22-7-5-11-26(29-22)31-17-19-32(20-18-31)27(35)23-8-6-14-34(21-23)25-12-15-33(16-13-25)28(36)30-24-9-3-2-4-10-24/h2-5,7,9-11,23,25H,6,8,12-21H2,1H3,(H,30,36)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81856
PNG
(Bipiperidinyl carboxylic acid amide, 27)
Show SMILES CC(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C25H40N6O2/c1-19(2)26-25(33)30-12-9-22(10-13-30)31-11-5-7-21(18-31)24(32)29-16-14-28(15-17-29)23-8-4-6-20(3)27-23/h4,6,8,19,21-22H,5,7,9-18H2,1-3H3,(H,26,33)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81833
PNG
(Bipiperidinyl carboxylic acid amide, 5)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H42N6O2/c1-20-7-5-9-23(27-20)29-15-17-30(18-16-29)24(33)21-8-6-12-32(19-21)22-10-13-31(14-11-22)25(34)28-26(2,3)4/h5,7,9,21-22H,6,8,10-19H2,1-4H3,(H,28,34)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81850
PNG
(Bipiperidinyl carboxylic acid amide, 22)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccc(C)c(F)c1
Show InChI InChI=1S/C29H39FN6O2/c1-21-8-9-24(19-26(21)30)32-29(38)35-13-10-25(11-14-35)36-12-4-6-23(20-36)28(37)34-17-15-33(16-18-34)27-7-3-5-22(2)31-27/h3,5,7-9,19,23,25H,4,6,10-18,20H2,1-2H3,(H,32,38)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81849
PNG
(Bipiperidinyl carboxylic acid amide, 21)
Show SMILES CC(=O)c1cccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)c1
Show InChI InChI=1S/C30H40N6O3/c1-22-6-3-10-28(31-22)33-16-18-34(19-17-33)29(38)25-8-5-13-36(21-25)27-11-14-35(15-12-27)30(39)32-26-9-4-7-24(20-26)23(2)37/h3-4,6-7,9-10,20,25,27H,5,8,11-19,21H2,1-2H3,(H,32,39)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81851
PNG
(Bipiperidinyl carboxylic acid amide, 23)
Show SMILES COC(=O)c1ccccc1NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C30H40N6O4/c1-22-7-5-11-27(31-22)33-17-19-34(20-18-33)28(37)23-8-6-14-36(21-23)24-12-15-35(16-13-24)30(39)32-26-10-4-3-9-25(26)29(38)40-2/h3-5,7,9-11,23-24H,6,8,12-21H2,1-2H3,(H,32,39)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81831
PNG
(Bipiperidinyl carboxylic acid amide, 4)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccn2)c(C)c1
Show InChI InChI=1S/C29H40N6O3/c1-22-20-25(38-2)8-9-26(22)31-29(37)34-14-10-24(11-15-34)35-13-5-6-23(21-35)28(36)33-18-16-32(17-19-33)27-7-3-4-12-30-27/h3-4,7-9,12,20,23-24H,5-6,10-11,13-19,21H2,1-2H3,(H,31,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81835
PNG
(Bipiperidinyl carboxylic acid amide, 8)
Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H40N6O2/c1-25(2,3)27-24(33)30-13-9-21(10-14-30)31-12-6-7-20(19-31)23(32)29-17-15-28(16-18-29)22-8-4-5-11-26-22/h4-5,8,11,20-21H,6-7,9-10,12-19H2,1-3H3,(H,27,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81838
PNG
(Bipiperidinyl carboxylic acid amide, 10)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C27H40ClN5O4/c1-2-3-19-37-27(36)29-26(35)32-13-10-22(11-14-32)33-12-6-7-21(20-33)25(34)31-17-15-30(16-18-31)24-9-5-4-8-23(24)28/h4-5,8-9,21-22H,2-3,6-7,10-20H2,1H3,(H,29,35,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM81839
PNG
(Bipiperidinyl carboxylic acid amide, 11)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C26H40N6O4/c1-2-3-19-36-26(35)28-25(34)31-13-9-22(10-14-31)32-12-6-7-21(20-32)24(33)30-17-15-29(16-18-30)23-8-4-5-11-27-23/h4-5,8,11,21-22H,2-3,6-7,9-10,12-20H2,1H3,(H,28,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
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