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Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'agrawal' and Initial = 'ak'   
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
NMDA


()
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
NMDA


()
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
NMDA


()
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
NMDA


()
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168554
PNG
((R)-7-{3-[2-Chloro-4-(1,1-dimethyl-propyl)-phenoxy...)
Show SMILES CCC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H31ClO5/c1-5-24(2,3)18-8-10-21(20(26)15-18)30-14-6-13-29-19-9-7-17-11-12-25(4,23(27)28)31-22(17)16-19/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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
NMDA


()
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
NMDA


()
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
NMDA


()
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168544
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)/t27-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168557
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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 18n/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
NMDA


()
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
NMDA


()
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
NMDA


()
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
NMDA


()
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 24n/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
NMDA


()
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 27n/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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168543
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO5/c1-26(25(28)29)13-12-19-8-10-21(17-24(19)32-26)30-14-5-15-31-23-11-9-20(16-22(23)27)18-6-3-2-4-7-18/h8-11,16-18H,2-7,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168555
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)/t25-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168572
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-2-21(20(27)28)9-8-14-4-5-15(13-19(14)32-21)29-10-3-11-30-18-7-6-16(12-17(18)23)31-22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168567
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C24H29ClO5/c1-4-24(23(26)27)11-10-17-6-8-19(15-22(17)30-24)28-12-5-13-29-21-9-7-18(16(2)3)14-20(21)25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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
NMDA


()
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
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
NMDA


()
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
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168560
PNG
((R)-7-[3-(2-Chloro-4-cyclopentyl-phenoxy)-propoxy]...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO5/c1-25(24(27)28)12-11-18-7-9-20(16-23(18)31-25)29-13-4-14-30-22-10-8-19(15-21(22)26)17-5-2-3-6-17/h7-10,15-17H,2-6,11-14H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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
NMDA


()
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168558
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO5/c1-15(2)17-6-8-20(19(24)13-17)28-12-4-11-27-18-7-5-16-9-10-23(3,22(25)26)29-21(16)14-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168547
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)8-7-13-3-4-14(12-18(13)31-20)28-9-2-10-29-17-6-5-15(11-16(17)22)30-21(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/t20-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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
NMDA


()
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
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148110
PNG
((R)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168553
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C23H24ClF3O6/c1-2-22(21(28)29)9-8-15-4-5-17(13-20(15)33-22)30-10-3-11-31-19-7-6-16(12-18(19)24)32-14-23(25,26)27/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,28,29)/t22-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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
NMDA


()
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168565
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethyl-phenoxy)-prop...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(F)(F)F)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)9-8-14-4-6-16(13-19(14)31-21)29-10-3-11-30-18-7-5-15(12-17(18)23)22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168571
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148097
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-ethyl...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27ClO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148092
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-methy...)
Show SMILES CC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168545
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H24ClFO6/c1-26(25(29)30)12-11-17-3-6-20(16-24(17)34-26)31-13-2-14-32-23-10-9-21(15-22(23)27)33-19-7-4-18(28)5-8-19/h3-10,15-16H,2,11-14H2,1H3,(H,29,30)/t26-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
NMDA


()
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168556
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)12-11-17-7-9-19(16-22(17)31-25)29-13-6-14-30-21-10-8-18(15-20(21)26)24(2,3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
NMDA


()
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168546
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-23(2,3)17-7-9-20(19(25)14-17)29-13-5-12-28-18-8-6-16-10-11-24(4,22(26)27)30-21(16)15-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,27)/t24-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168548
PNG
((R)-7-[3-(2-Chloro-4-isopropoxy-phenoxy)-propoxy]-...)
Show SMILES CC(C)Oc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO6/c1-15(2)29-18-7-8-20(19(24)13-18)28-12-4-11-27-17-6-5-16-9-10-23(3,22(25)26)30-21(16)14-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
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