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Compile Data Set for Download or QSAR

Found 468 hits with Last Name = 'lenhard' and Initial = 'jm'   
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085048
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085048
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity ass...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418564
PNG
(CHEMBL423026)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H29N3O5/c1-35(32-34-27-13-7-8-14-29(27)40-32)19-20-39-24-17-15-22(16-18-24)21-28(31(37)38)33-26-12-6-5-11-25(26)30(36)23-9-3-2-4-10-23/h2-18,28,33H,19-21H2,1H3,(H,37,38)/t28-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418568
PNG
(CHEMBL146822)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(=O)Cc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H31N3O5/c1-36(33-35-28-13-7-8-14-31(28)41-33)19-20-40-25-17-15-24(16-18-25)21-29(32(38)39)34-27-12-6-5-11-26(27)30(37)22-23-9-3-2-4-10-23/h2-18,29,34H,19-22H2,1H3,(H,38,39)
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3.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50000012
PNG
(CHEMBL147826)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C31H29N3O5/c1-34(31-33-26-12-6-8-14-29(26)39-31)19-20-37-23-17-15-22(16-18-23)21-27(30(35)36)32-25-11-5-7-13-28(25)38-24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)
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3.70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50064451
PNG
(5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)
Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26)
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4.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418564
PNG
(CHEMBL423026)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H29N3O5/c1-35(32-34-27-13-7-8-14-29(27)40-32)19-20-39-24-17-15-22(16-18-24)21-28(31(37)38)33-26-12-6-5-11-25(26)30(36)23-9-3-2-4-10-23/h2-18,28,33H,19-21H2,1H3,(H,37,38)/t28-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity ass...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143826
PNG
((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12
Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418575
PNG
(CHEMBL358137)
Show SMILES CN(CCOc1ccc(CC(Nc2cccc3C(=O)c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H27N3O6/c1-36(33-35-25-10-4-5-12-28(25)42-33)17-18-41-21-15-13-20(14-16-21)19-27(32(39)40)34-26-11-6-9-24-29(26)31(38)23-8-3-2-7-22(23)30(24)37/h2-16,27,34H,17-19H2,1H3,(H,39,40)
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5.10n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418563
PNG
(CHEMBL148301)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(O)=O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C36H37NO6/c1-22-23(2)34-28(24(3)32(22)38)18-19-36(4,43-34)21-42-27-16-14-25(15-17-27)20-31(35(40)41)37-30-13-9-8-12-29(30)33(39)26-10-6-5-7-11-26/h5-17,31,37-38H,18-21H2,1-4H3,(H,40,41)/t31-,36?/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143826
PNG
((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12
Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418571
PNG
(CHEMBL346219)
Show SMILES CCc1ccc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)nc1
Show InChI InChI=1S/C31H30N2O4/c1-2-22-12-15-25(32-21-22)18-19-37-26-16-13-23(14-17-26)20-29(31(35)36)33-28-11-7-6-10-27(28)30(34)24-8-4-3-5-9-24/h3-17,21,29,33H,2,18-20H2,1H3,(H,35,36)/t29-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418557
PNG
(CHEMBL1785028)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C26H25NO4/c1-19(16-25(28)22-10-6-3-7-11-22)27-24(26(29)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,24H,16-18H2,1H3,(H,29,30)/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418557
PNG
(CHEMBL1785028)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C26H25NO4/c1-19(16-25(28)22-10-6-3-7-11-22)27-24(26(29)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,24H,16-18H2,1H3,(H,29,30)/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173960
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-2-ylmet...)
Show SMILES CC(C)(SCc1ccccn1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-12-5-3-4-6-20-12)14(19)15(22)21-9-11(17)7-13(21)8-18/h3-6,11,13-14H,7,9-10,19H2,1-2H3/t11-,13-,14+/m0/s1
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173976
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-3-ylmet...)
Show SMILES CC(C)(SCc1cccnc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-11-4-3-5-20-8-11)14(19)15(22)21-9-12(17)6-13(21)7-18/h3-5,8,12-14H,6,9-10,19H2,1-2H3/t12-,13-,14+/m0/s1
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18n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143827
PNG
((E)-3-[4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-te...)
Show SMILES COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O4/c1-25(2)11-12-26(3,4)21-15-23(29-5)19(14-20(21)25)17-7-6-8-22-18(17)13-16(30-22)9-10-24(27)28/h9-10,13-15,17H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143825
PNG
(5-[1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(C=C3SC(O)=NC3=O)cc12 |w:21.22,c:27|
Show InChI InChI=1S/C26H29NO3S/c1-25(2)10-11-26(3,4)20-12-15(8-9-19(20)25)17-6-5-7-21-18(17)13-16(30-21)14-22-23(28)27-24(29)31-22/h8-9,12-14,17H,5-7,10-11H2,1-4H3,(H,27,28,29)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173983
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(3-phenylpropylt...)
Show SMILES CC(C)(SCCCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C19H26FN3OS/c1-19(2,25-10-6-9-14-7-4-3-5-8-14)17(22)18(24)23-13-15(20)11-16(23)12-21/h3-5,7-8,15-17H,6,9-11,13,22H2,1-2H3/t15-,16-,17+/m0/s1
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24n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50049244
PNG
(5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)
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27n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50000010
PNG
(CHEMBL146614)
Show SMILES CN(CCOc1ccc(CC(NCc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H31N3O5/c1-36(33-35-28-13-7-8-14-30(28)41-33)19-20-40-26-17-15-23(16-18-26)21-29(32(38)39)34-22-25-11-5-6-12-27(25)31(37)24-9-3-2-4-10-24/h2-18,29,34H,19-22H2,1H3,(H,38,39)
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28n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173981
PNG
((2S,4S)-1-((R)-3-(4-methoxybenzylthio)-2-amino-3-m...)
Show SMILES COc1ccc(CSC(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C18H24FN3O2S/c1-18(2,25-11-12-4-6-15(24-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1
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29n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418573
PNG
(CHEMBL147694)
Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H28N2O6/c1-34(32-33-26-12-6-8-14-28(26)40-32)19-20-38-24-17-15-22(16-18-24)21-29(31(36)37)39-27-13-7-5-11-25(27)30(35)23-9-3-2-4-10-23/h2-18,29H,19-21H2,1H3,(H,36,37)
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32n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418566
PNG
(CHEMBL146322)
Show SMILES CN(CCOc1ccc(CC(Sc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H28N2O5S/c1-34(32-33-26-12-6-7-13-27(26)39-32)19-20-38-24-17-15-22(16-18-24)21-29(31(36)37)40-28-14-8-5-11-25(28)30(35)23-9-3-2-4-10-23/h2-18,29H,19-21H2,1H3,(H,36,37)
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33n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173958
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-4-ylmet...)
Show SMILES CC(C)(SCc1ccncc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-11-3-5-20-6-4-11)14(19)15(22)21-9-12(17)7-13(21)8-18/h3-6,12-14H,7,9-10,19H2,1-2H3/t12-,13-,14+/m0/s1
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33n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143832
PNG
((E)-3-[4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES Cc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O3/c1-16-13-21-22(26(4,5)12-11-25(21,2)3)15-19(16)18-7-6-8-23-20(18)14-17(29-23)9-10-24(27)28/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143833
PNG
((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(\C=C\C(O)=O)cc12
Show InChI InChI=1S/C25H30O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173967
PNG
((2S,4S)-1-((R)-2-amino-3-((5-chlorobenzo[b]thiophe...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1csc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClFN3O3S2/c1-19(2,17(23)18(25)24-8-13(21)6-14(24)7-22)29(26,27)10-11-9-28-16-4-3-12(20)5-15(11)16/h3-5,9,13-14,17H,6,8,10,23H2,1-2H3/t13-,14-,17+/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173977
PNG
((2S,4S)-1-((R)-2-amino-3-(3-(4-fluorophenyl)propyl...)
Show SMILES CC(C)(SCCCc1ccc(F)cc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C19H25F2N3OS/c1-19(2,26-9-3-4-13-5-7-14(20)8-6-13)17(23)18(25)24-12-15(21)10-16(24)11-22/h5-8,15-17H,3-4,9-10,12,23H2,1-2H3/t15-,16-,17+/m0/s1
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45n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173971
PNG
(CHEMBL427193 | N-(((R)-3-amino-4-((2S,4S)-2-cyano-...)
Show SMILES CC(=O)NCSC(C)(C)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C13H21FN4O2S/c1-8(19)17-7-21-13(2,3)11(16)12(20)18-6-9(14)4-10(18)5-15/h9-11H,4,6-7,16H2,1-3H3,(H,17,19)/t9-,10-,11+/m0/s1
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46n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
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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47n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418562
PNG
(CHEMBL357479)
Show SMILES CC1(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)CCCCC1
Show InChI InChI=1S/C30H33NO4/c1-30(18-8-3-9-19-30)21-35-24-16-14-22(15-17-24)20-27(29(33)34)31-26-13-7-6-12-25(26)28(32)23-10-4-2-5-11-23/h2,4-7,10-17,27,31H,3,8-9,18-21H2,1H3,(H,33,34)/t27-/m0/s1
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51n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173963
PNG
((2S,4S)-1-((R)-2-amino-3-(4-methoxybenzylsulfonyl)...)
Show SMILES COc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 |r|
Show InChI InChI=1S/C18H24FN3O4S/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)27(24,25)11-12-4-6-15(26-3)7-5-12/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1
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53n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173979
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(phenethylthio)b...)
Show SMILES CC(C)(SCCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C18H24FN3OS/c1-18(2,24-9-8-13-6-4-3-5-7-13)16(21)17(23)22-12-14(19)10-15(22)11-20/h3-7,14-16H,8-10,12,21H2,1-2H3/t14-,15-,16+/m0/s1
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56n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173972
PNG
((2S,4S)-1-((R)-3-(4-(trifluoromethyl)benzylthio)-2...)
Show SMILES CC(C)(SCc1ccc(cc1)C(F)(F)F)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C18H21F4N3OS/c1-17(2,15(24)16(26)25-9-13(19)7-14(25)8-23)27-10-11-3-5-12(6-4-11)18(20,21)22/h3-6,13-15H,7,9-10,24H2,1-2H3/t13-,14-,15+/m0/s1
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50409928
PNG
(CHEMBL2113737)
Show SMILES C\C(=C/C(O)=O)c1cc2C(CCCc2o1)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O3/c1-16(13-24(27)28)23-15-19-18(7-6-8-22(19)29-23)17-9-10-20-21(14-17)26(4,5)12-11-25(20,2)3/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b16-13+
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173961
PNG
((2S,4S)-1-((R)-3-(3-phenoxybenzylthio)-2-amino-3-m...)
Show SMILES CC(C)(SCc1cccc(Oc2ccccc2)c1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C23H26FN3O2S/c1-23(2,21(26)22(28)27-14-17(24)12-18(27)13-25)30-15-16-7-6-10-20(11-16)29-19-8-4-3-5-9-19/h3-11,17-18,21H,12,14-15,26H2,1-2H3/t17-,18-,21+/m0/s1
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65n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173978
PNG
((2S,4S)-1-((R)-3-(4-cyanobenzylsulfonyl)-2-amino-3...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H21FN4O3S/c1-18(2,16(22)17(24)23-10-14(19)7-15(23)9-21)27(25,26)11-13-5-3-12(8-20)4-6-13/h3-6,14-16H,7,10-11,22H2,1-2H3/t14-,15-,16+/m0/s1
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68n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173965
PNG
((2S,4S)-1-((R)-3-(4-(methylsulfonyl)benzylsulfonyl...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H24FN3O5S2/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)29(26,27)11-12-4-6-15(7-5-12)28(3,24)25/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1
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76n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50409929
PNG
(CHEMBL2113736)
Show SMILES CN1CC(c2cc(\C=C\C(O)=O)oc2C1)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H31NO3/c1-24(2)10-11-25(3,4)21-12-16(6-8-20(21)24)19-14-26(5)15-22-18(19)13-17(29-22)7-9-23(27)28/h6-9,12-13,19H,10-11,14-15H2,1-5H3,(H,27,28)/b9-7+
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418567
PNG
(CHEMBL148060)
Show SMILES CN(CCOc1ccc(CC(Nc2cccc3-c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H27N3O5/c1-35(32-34-25-10-4-5-12-28(25)40-32)17-18-39-21-15-13-20(14-16-21)19-27(31(37)38)33-26-11-6-9-23-22-7-2-3-8-24(22)30(36)29(23)26/h2-16,27,33H,17-19H2,1H3,(H,37,38)
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85n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143826
PNG
((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12
Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+
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90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50143824
PNG
((E)-3-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc(\C=C\C(O)=O)o1
Show InChI InChI=1S/C21H24O3/c1-20(2)11-12-21(3,4)17-13-14(5-8-16(17)20)18-9-6-15(24-18)7-10-19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)/b10-7+
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93n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143821
PNG
((E)-3-[4-(5,5,8,8-Tetramethyl-3-propoxy-5,6,7,8-te...)
Show SMILES CCCOc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C28H36O4/c1-6-14-31-25-17-23-22(27(2,3)12-13-28(23,4)5)16-21(25)19-8-7-9-24-20(19)15-18(32-24)10-11-26(29)30/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,29,30)/b11-10+
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173957
PNG
((2S,4S)-1-((R)-3-(4-methoxybenzylsulfinyl)-2-amino...)
Show SMILES COc1ccc(CS(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C18H24FN3O3S/c1-18(2,26(24)11-12-4-6-15(25-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+,26?/m0/s1
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112n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173959
PNG
((S)-1-((R)-3-(4-methoxybenzylsulfonyl)-2-amino-3-m...)
Show SMILES COc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C18H25N3O4S/c1-18(2,16(20)17(22)21-10-4-5-14(21)11-19)26(23,24)12-13-6-8-15(25-3)9-7-13/h6-9,14,16H,4-5,10,12,20H2,1-3H3/t14-,16+/m0/s1
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115n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418574
PNG
(CHEMBL146123)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2S(=O)(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C31H29N3O6S/c1-34(31-33-25-11-5-7-13-28(25)40-31)19-20-39-23-17-15-22(16-18-23)21-27(30(35)36)32-26-12-6-8-14-29(26)41(37,38)24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)
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123n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50143835
PNG
((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3coc(\C=C\C(O)=O)c3)ccc12
Show InChI InChI=1S/C22H26O3/c1-21(2)9-10-22(3,4)19-13-15(5-7-18(19)21)11-16-12-17(25-14-16)6-8-20(23)24/h5-8,12-14H,9-11H2,1-4H3,(H,23,24)/b8-6+
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138n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50173968
PNG
((R)-3-amino-4-((2S,4S)-2-cyano-4-fluoropyrrolidin-...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(O)(=O)=O
Show InChI InChI=1S/C10H16FN3O4S/c1-10(2,19(16,17)18)8(13)9(15)14-5-6(11)3-7(14)4-12/h6-8H,3,5,13H2,1-2H3,(H,16,17,18)/t6-,7-,8+/m0/s1
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154n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4


Bioorg Med Chem Lett 15: 5257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.050
BindingDB Entry DOI: 10.7270/Q21R6Q2C
More data for this
Ligand-Target Pair
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