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Compile Data Set for Download or QSAR

Found 479 hits from Central Drug Research Institute   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50202762
PNG
(CHEMBL238952 | N-(4-(3-(4-m-tolylpiperazin-1-yl)pr...)
Show SMILES CC(=O)Nc1ccc(SCCCN2CCN(CC2)c2cccc(C)c2)cc1
Show InChI InChI=1S/C22H29N3OS/c1-18-5-3-6-21(17-18)25-14-12-24(13-15-25)11-4-16-27-22-9-7-20(8-10-22)23-19(2)26/h3,5-10,17H,4,11-16H2,1-2H3,(H,23,26)
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6.09n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells


Bioorg Med Chem Lett 17: 1708-12 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.072
BindingDB Entry DOI: 10.7270/Q2W66KFW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50202763
PNG
(1-(3-(phenylthio)propyl)-4-m-tolylpiperazine | CHE...)
Show SMILES Cc1cccc(c1)N1CCN(CCCSc2ccccc2)CC1
Show InChI InChI=1S/C20H26N2S/c1-18-7-5-8-19(17-18)22-14-12-21(13-15-22)11-6-16-23-20-9-3-2-4-10-20/h2-5,7-10,17H,6,11-16H2,1H3
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13.6n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells


Bioorg Med Chem Lett 17: 1708-12 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.072
BindingDB Entry DOI: 10.7270/Q2W66KFW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50202764
PNG
(1-(3-(4-nitrophenylthio)propyl)-4-m-tolylpiperazin...)
Show SMILES Cc1cccc(c1)N1CCN(CCCSc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H25N3O2S/c1-17-4-2-5-19(16-17)22-13-11-21(12-14-22)10-3-15-26-20-8-6-18(7-9-20)23(24)25/h2,4-9,16H,3,10-15H2,1H3
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21.1n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells


Bioorg Med Chem Lett 17: 1708-12 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.072
BindingDB Entry DOI: 10.7270/Q2W66KFW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50202761
PNG
(CHEMBL239371 | N-(4-(3-(4-o-tolylpiperazin-1-yl)pr...)
Show SMILES CC(=O)Nc1ccc(SCCCN2CCN(CC2)c2ccccc2C)cc1
Show InChI InChI=1S/C22H29N3OS/c1-18-6-3-4-7-22(18)25-15-13-24(14-16-25)12-5-17-27-21-10-8-20(9-11-21)23-19(2)26/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)
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21.1n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells


Bioorg Med Chem Lett 17: 1708-12 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.072
BindingDB Entry DOI: 10.7270/Q2W66KFW
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50209967
PNG
(4-[2-(3,4-dimethoxy-phenyl)-ethylamino]-3-nitro-5-...)
Show SMILES COc1ccc(CCNc2c(cc(cc2S(N)(=O)=O)C(O)=O)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C17H19N3O8S/c1-27-13-4-3-10(7-14(13)28-2)5-6-19-16-12(20(23)24)8-11(17(21)22)9-15(16)29(18,25)26/h3-4,7-9,19H,5-6H2,1-2H3,(H,21,22)(H2,18,25,26)
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5.70E+3n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of chorismate mutase in Mycobacterium tuberculosis H37Rv strain


Bioorg Med Chem Lett 17: 3053-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.053
BindingDB Entry DOI: 10.7270/Q2028R7K
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50209968
PNG
((Z)-2-(4-chlorophenyl)-3-(4,5-dimethoxy-2-nitrophe...)
Show SMILES COc1cc(\C=C(/C(O)=O)c2ccc(Cl)cc2)c(cc1OC)[N+]([O-])=O
Show InChI InChI=1S/C17H14ClNO6/c1-24-15-8-11(14(19(22)23)9-16(15)25-2)7-13(17(20)21)10-3-5-12(18)6-4-10/h3-9H,1-2H3,(H,20,21)/b13-7-
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1.77E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of chorismate mutase in Mycobacterium tuberculosis H37Rv strain


Bioorg Med Chem Lett 17: 3053-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.053
BindingDB Entry DOI: 10.7270/Q2028R7K
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50209969
PNG
(2-(3-(tert-butoxycarbonyl)-2-phenylthiazolidine-4-...)
Show SMILES CC(C)CC(NC(=O)C1CSC(N1C(=O)OC(C)(C)C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H30N2O5S/c1-13(2)11-15(19(25)26)22-17(24)16-12-29-18(14-9-7-6-8-10-14)23(16)20(27)28-21(3,4)5/h6-10,13,15-16,18H,11-12H2,1-5H3,(H,22,24)(H,25,26)
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2.11E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of chorismate mutase in Mycobacterium tuberculosis H37Rv strain


Bioorg Med Chem Lett 17: 3053-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.053
BindingDB Entry DOI: 10.7270/Q2028R7K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266158
PNG
(CHEMBL510225 | Dimethyl-[2-(4-naphtho[1,2-d]oxazol...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C21H20N2O2/c1-23(2)13-14-24-17-10-7-16(8-11-17)21-22-20-18-6-4-3-5-15(18)9-12-19(20)25-21/h3-12H,13-14H2,1-2H3
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2.51E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266161
PNG
(2-[4-(2-Piperidine-1-yl-ethoxy)-phenyl]-naphtho[1,...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C24H24N2O2/c1-4-14-26(15-5-1)16-17-27-20-11-8-19(9-12-20)24-25-23-21-7-3-2-6-18(21)10-13-22(23)28-24/h2-3,6-13H,1,4-5,14-17H2
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2.71E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182133
PNG
(3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4...)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC
Show InChI InChI=1S/C19H17NO4/c1-21-13-5-3-12(4-6-13)18-11-16(20-24-18)14-7-8-17-15(9-10-23-17)19(14)22-2/h3-10,18H,11H2,1-2H3
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2.75E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266161
PNG
(2-[4-(2-Piperidine-1-yl-ethoxy)-phenyl]-naphtho[1,...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C24H24N2O2/c1-4-14-26(15-5-1)16-17-27-20-11-8-19(9-12-20)24-25-23-21-7-3-2-6-18(21)10-13-22(23)28-24/h2-3,6-13H,1,4-5,14-17H2
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2.75E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198352
PNG
(1-(5-acetyl-6,6'-dihydroxy-2',3'-dihydro-[2,3']-bi...)
Show SMILES CC(=O)c1ccc2oc(cc2c1O)-c1coc2ccc(C(C)=O)c(O)c12
Show InChI InChI=1S/C20H14O6/c1-9(21)11-3-5-15-13(19(11)23)7-17(26-15)14-8-25-16-6-4-12(10(2)22)20(24)18(14)16/h3-8,23-24H,1-2H3
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2.75E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B in presence of 0.01% Triton X-100


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266158
PNG
(CHEMBL510225 | Dimethyl-[2-(4-naphtho[1,2-d]oxazol...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C21H20N2O2/c1-23(2)13-14-24-17-10-7-16(8-11-17)21-22-20-18-6-4-3-5-15(18)9-12-19(20)25-21/h3-12H,13-14H2,1-2H3
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2.87E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50209966
PNG
(CHEMBL242816 | methyl 4-(methylamino)-3-nitrobenzo...)
Show SMILES CNc1ccc(cc1[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C9H10N2O4/c1-10-7-4-3-6(9(12)15-2)5-8(7)11(13)14/h3-5,10H,1-2H3
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2.88E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of chorismate mutase in Mycobacterium tuberculosis H37Rv strain


Bioorg Med Chem Lett 17: 3053-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.053
BindingDB Entry DOI: 10.7270/Q2028R7K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198349
PNG
(7-(4-methoxy-phenyl)-furo[3,2-g]chromen-5-one | CH...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc3ccoc3cc2o1
Show InChI InChI=1S/C18H12O4/c1-20-13-4-2-11(3-5-13)17-9-15(19)14-8-12-6-7-21-16(12)10-18(14)22-17/h2-10H,1H3
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3.00E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182134
PNG
(3-(4,7-dimethoxybenzofuran-5-yl)-5-phenyl-4,5-dihy...)
Show SMILES COc1cc(C2=NOC(C2)c2ccccc2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H17NO4/c1-21-17-10-14(18(22-2)13-8-9-23-19(13)17)15-11-16(24-20-15)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
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3.00E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182131
PNG
(3-(4,7-dimethoxybenzofuran-5-yl)-5-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1cc(OC)c2occc2c1OC
Show InChI InChI=1S/C20H19NO5/c1-22-13-6-4-12(5-7-13)17-11-16(21-26-17)15-10-18(23-2)20-14(8-9-25-20)19(15)24-3/h4-10,17H,11H2,1-3H3
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3.20E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266231
PNG
(CHEMBL510460 | Dimethyl-[3-(4-naphtho[1,2-d]oxazol...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C22H22N2O2/c1-24(2)14-5-15-25-18-11-8-17(9-12-18)22-23-21-19-7-4-3-6-16(19)10-13-20(21)26-22/h3-4,6-13H,5,14-15H2,1-2H3
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3.41E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266160
PNG
(2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-naphtho[1,...)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C23H22N2O2/c1-2-6-20-17(5-1)9-12-21-22(20)24-23(27-21)18-7-10-19(11-8-18)26-16-15-25-13-3-4-14-25/h1-2,5-12H,3-4,13-16H2
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3.42E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198352
PNG
(1-(5-acetyl-6,6'-dihydroxy-2',3'-dihydro-[2,3']-bi...)
Show SMILES CC(=O)c1ccc2oc(cc2c1O)-c1coc2ccc(C(C)=O)c(O)c12
Show InChI InChI=1S/C20H14O6/c1-9(21)11-3-5-15-13(19(11)23)7-17(26-15)14-8-25-16-6-4-12(10(2)22)20(24)18(14)16/h3-8,23-24H,1-2H3
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3.50E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266159
PNG
(CHEMBL506882 | Diethyl-[2-(4-naphtho[1,2-d]oxazol-...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C23H24N2O2/c1-3-25(4-2)15-16-26-19-12-9-18(10-13-19)23-24-22-20-8-6-5-7-17(20)11-14-21(22)27-23/h5-14H,3-4,15-16H2,1-2H3
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3.50E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198349
PNG
(7-(4-methoxy-phenyl)-furo[3,2-g]chromen-5-one | CH...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc3ccoc3cc2o1
Show InChI InChI=1S/C18H12O4/c1-20-13-4-2-11(3-5-13)17-9-15(19)14-8-12-6-7-21-16(12)10-18(14)22-17/h2-10H,1H3
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3.60E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B in presence of 0.01% Triton X-100


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266231
PNG
(CHEMBL510460 | Dimethyl-[3-(4-naphtho[1,2-d]oxazol...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C22H22N2O2/c1-24(2)14-5-15-25-18-11-8-17(9-12-18)22-23-21-19-7-4-3-6-16(19)10-13-20(21)26-22/h3-4,6-13H,5,14-15H2,1-2H3
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3.63E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266160
PNG
(2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-naphtho[1,...)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C23H22N2O2/c1-2-6-20-17(5-1)9-12-21-22(20)24-23(27-21)18-7-10-19(11-8-18)26-16-15-25-13-3-4-14-25/h1-2,5-12H,3-4,13-16H2
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3.70E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198350
PNG
(1-(5-acetyl-4,4'-dihydroxy-2',3'-dihydro-[2,3']bib...)
Show SMILES CC(=O)c1cc2cc(oc2cc1O)-c1coc2cc(O)c(cc12)C(C)=O
Show InChI InChI=1S/C20H14O6/c1-9(21)12-3-11-4-20(26-18(11)6-16(12)23)15-8-25-19-7-17(24)13(10(2)22)5-14(15)19/h3-8,23-24H,1-2H3
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3.70E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266232
PNG
(CHEMBL458009 | Diethyl-[3-(4-naphtho[1,2-d]oxazol-...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C24H26N2O2/c1-3-26(4-2)16-7-17-27-20-13-10-19(11-14-20)24-25-23-21-9-6-5-8-18(21)12-15-22(23)28-24/h5-6,8-15H,3-4,7,16-17H2,1-2H3
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4.05E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266232
PNG
(CHEMBL458009 | Diethyl-[3-(4-naphtho[1,2-d]oxazol-...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C24H26N2O2/c1-3-26(4-2)16-7-17-27-20-13-10-19(11-14-20)24-25-23-21-9-6-5-8-18(21)12-15-22(23)28-24/h5-6,8-15H,3-4,7,16-17H2,1-2H3
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4.10E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266162
PNG
(Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...)
Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3
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4.10E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266162
PNG
(Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...)
Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3
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4.44E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182135
PNG
(3-(4-methoxybenzofuran-5-yl)-5-phenyl-4,5-dihydroi...)
Show SMILES COc1c(ccc2occc12)C1=NOC(C1)c1ccccc1
Show InChI InChI=1S/C18H15NO3/c1-20-18-13(7-8-16-14(18)9-10-21-16)15-11-17(22-19-15)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
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4.50E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198348
PNG
(7-phenyl-furo[3,2-g]chromen-5-one | CHEMBL388814)
Show SMILES O=c1cc(oc2cc3occc3cc12)-c1ccccc1
Show InChI InChI=1S/C17H10O3/c18-14-9-16(11-4-2-1-3-5-11)20-17-10-15-12(6-7-19-15)8-13(14)17/h1-10H
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4.50E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B in presence of 0.01% Triton X-100


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198351
PNG
(1-(7'-acetyl-6,6'-dihydroxy-2',3'-dihydro-[2,3']bi...)
Show SMILES CC(=O)c1c(O)ccc2cc(oc12)-c1coc2c(C(C)=O)c(O)ccc12
Show InChI InChI=1S/C20H14O6/c1-9(21)17-14(23)5-3-11-7-16(26-19(11)17)13-8-25-20-12(13)4-6-15(24)18(20)10(2)22/h3-8,23-24H,1-2H3
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5.40E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B in presence of 0.01% Triton X-100


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198348
PNG
(7-phenyl-furo[3,2-g]chromen-5-one | CHEMBL388814)
Show SMILES O=c1cc(oc2cc3occc3cc12)-c1ccccc1
Show InChI InChI=1S/C17H10O3/c18-14-9-16(11-4-2-1-3-5-11)20-17-10-15-12(6-7-19-15)8-13(14)17/h1-10H
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5.70E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198350
PNG
(1-(5-acetyl-4,4'-dihydroxy-2',3'-dihydro-[2,3']bib...)
Show SMILES CC(=O)c1cc2cc(oc2cc1O)-c1coc2cc(O)c(cc12)C(C)=O
Show InChI InChI=1S/C20H14O6/c1-9(21)12-3-11-4-20(26-18(11)6-16(12)23)15-8-25-19-7-17(24)13(10(2)22)5-14(15)19/h3-8,23-24H,1-2H3
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6.10E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B in presence of 0.01% Triton X-100


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50198351
PNG
(1-(7'-acetyl-6,6'-dihydroxy-2',3'-dihydro-[2,3']bi...)
Show SMILES CC(=O)c1c(O)ccc2cc(oc12)-c1coc2c(C(C)=O)c(O)ccc12
Show InChI InChI=1S/C20H14O6/c1-9(21)17-14(23)5-3-11-7-16(26-19(11)17)13-8-25-20-12(13)4-6-15(24)18(20)10(2)22/h3-8,23-24H,1-2H3
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6.40E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 15: 727-34 (2006)


Article DOI: 10.1016/j.bmc.2006.10.053
BindingDB Entry DOI: 10.7270/Q2CR5T1W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182132
PNG
(CHEMBL205730 | methyl 3-(4-methoxybenzofuran-5-yl)...)
Show SMILES COC(=O)C1C(ON=C1c1ccc2occc2c1OC)c1ccccc1
Show InChI InChI=1S/C20H17NO5/c1-23-19-13-10-11-25-15(13)9-8-14(19)17-16(20(22)24-2)18(26-21-17)12-6-4-3-5-7-12/h3-11,16,18H,1-2H3
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7.25E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50266159
PNG
(CHEMBL506882 | Diethyl-[2-(4-naphtho[1,2-d]oxazol-...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C23H24N2O2/c1-3-25(4-2)15-16-26-19-12-9-18(10-13-19)23-24-22-20-8-6-5-7-17(20)11-14-21(22)27-23/h5-14H,3-4,15-16H2,1-2H3
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3.55E+5n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100


Eur J Med Chem 44: 109-16 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.009
BindingDB Entry DOI: 10.7270/Q2FN1602
More data for this
Ligand-Target Pair
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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1.12E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
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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1.12E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
More data for this
Ligand-Target Pair
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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1.13E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
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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1.18E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50418576
PNG
(CHEMBL1785077)
Show SMILES CN(CCOc1ccc(C[C@H](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)/t27-/m0/s1
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1.19E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
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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1.21E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
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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1.21E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
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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1.22E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
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
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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1.26E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
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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1.32E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50418565
PNG
(CHEMBL1785075)
Show SMILES CN(CCOc1ccc(CC(Cc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H30N2O5/c1-35(33-34-29-13-7-8-14-30(29)40-33)19-20-39-27-17-15-23(16-18-27)21-26(32(37)38)22-25-11-5-6-12-28(25)31(36)24-9-3-2-4-10-24/h2-18,26H,19-22H2,1H3,(H,37,38)
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1.33E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
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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1.34E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
More data for this
Ligand-Target Pair
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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1.37E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
More data for this
Ligand-Target Pair
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