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Compile Data Set for Download or QSAR

Found 504 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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.160n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.501n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50477152
PNG
(CHEMBL393466)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12
Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2
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0.643n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

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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1.17n/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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1.22n/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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1.48n/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)
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

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=1/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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3.37n/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=1/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-/s2
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3.86n/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=1/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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5.26n/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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5.26n/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
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
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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6.54n/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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50477152
PNG
(CHEMBL393466)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12
Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2
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9.40n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

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=1/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)/b27-19-/t24-/s2
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11.9n/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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50133931
PNG
(1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1
Show InChI InChI=1/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2
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13n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

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))
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
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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50133931
PNG
(1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1
Show InChI InChI=1/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2
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24n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

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=1/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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27n/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=1/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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29.3n/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=1/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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33n/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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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35n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

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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52.7n/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
Dopamine receptors; D1 & D2


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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58n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

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=1/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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86.5n/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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50477151
PNG
(CHEMBL393622)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1
Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2
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92n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50477151
PNG
(CHEMBL393622)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1
Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2
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94n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418569
PNG
(CHEMBL145829)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(N=N)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1/C30H31N5O3/c1-35(28-13-7-8-18-32-28)19-20-38-24-16-14-22(15-17-24)21-27(30(36)37)33-26-12-6-5-11-25(26)29(34-31)23-9-3-2-4-10-23/h2-18,27,29,31,33H,19-21H2,1H3,(H,36,37)
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125n/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))
BDBM50418560
PNG
(CHEMBL1785031)
Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC1=C(CCCC1)C(=O)c1ccccc1
Show InChI InChI=1/C29H29NO4/c31-28(23-11-5-2-6-12-23)25-13-7-8-14-26(25)30-27(29(32)33)19-21-15-17-24(18-16-21)34-20-22-9-3-1-4-10-22/h1-6,9-12,15-18,27,30H,7-8,13-14,19-20H2,(H,32,33)/t27-/s2
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167n/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))
BDBM50418574
PNG
(CHEMBL146123)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2S(=O)(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1/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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167n/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
Dopamine receptors; D1 & D2


(RAT)
BDBM50133931
PNG
(1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1
Show InChI InChI=1/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2
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425n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418559
PNG
(CHEMBL1785030)
Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N=C(C)CC(=O)c1ccccc1
Show InChI InChI=1/C27H27NO4/c1-20(17-26(29)23-11-7-4-8-12-23)28-25(27(30)31-2)18-21-13-15-24(16-14-21)32-19-22-9-5-3-6-10-22/h3-16,25H,17-19H2,1-2H3/b28-20-/t25-/s2
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777n/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))
BDBM50418572
PNG
(CHEMBL359377)
Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C29H25NO4/c31-28(23-11-5-2-6-12-23)25-13-7-8-14-26(25)30-27(29(32)33)19-21-15-17-24(18-16-21)34-20-22-9-3-1-4-10-22/h1-18,27,30H,19-20H2,(H,32,33)/t27-/m0/s1
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802n/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))
BDBM50418561
PNG
(CHEMBL147042)
Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H25NO4/c31-28(23-9-5-2-6-10-23)24-13-15-25(16-14-24)30-27(29(32)33)19-21-11-17-26(18-12-21)34-20-22-7-3-1-4-8-22/h1-18,27,30H,19-20H2,(H,32,33)/t27-/m0/s1
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1.29E+3n/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))
BDBM50418558
PNG
(CHEMBL1785029)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1/C26H26N2O3/c1-19(16-25(29)22-10-6-3-7-11-22)28-24(26(27)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,24H,16-18H2,1H3,(H2,27,30)/b28-19-/t24-/s2
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1.33E+3n/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))
BDBM50418570
PNG
(CHEMBL1785076)
Show SMILES CC(=O)CC(C)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C21H23NO4/c1-15(12-16(2)23)22-20(21(24)25)13-17-8-10-19(11-9-17)26-14-18-6-4-3-5-7-18/h3-11,20H,12-14H2,1-2H3,(H,24,25)/b22-15-/t20-/s2
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1.99E+3n/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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50477152
PNG
(CHEMBL393466)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12
Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2
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2.25E+3n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain


Bioorg Med Chem 15: 7361-7 (2007)

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=1/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))
BDBM93118
PNG
(PTP1B Inhibitor, 19)
Show SMILES CC(=O)Oc1ccc(C2=NOC(C2)c2ccccc2)c(OC(C)=O)c1
Show InChI InChI=1/C19H17NO5/c1-12(21)23-15-8-9-16(19(10-15)24-13(2)22)17-11-18(25-20-17)14-6-4-3-5-7-14/h3-10,18H,11H2,1-2H3
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2.50E+4n/a 6.27E+4n/an/an/an/a7.0n/a



Central Drug Research Institute



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
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))
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))
BDBM50182133
PNG
(3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4...)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC
Show InChI InChI=1/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))
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
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