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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'aramaki' and Initial = 'h'   
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))
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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10n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428877
PNG
(CHEMBL2338480)
Show SMILES Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C18H12Cl4N2O3S/c1-10-4-13(9-23-8-10)27-18-15(21)6-12(7-16(18)22)24-28(25,26)17-3-2-11(19)5-14(17)20/h2-9,24H,1H3
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity


J Med Chem 49: 1506-8 (2006)


Article DOI: 10.1021/jm0600139
BindingDB Entry DOI: 10.7270/Q2H131NP
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50183275
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES CC(C)[C@@H](CO)n1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12
Show InChI InChI=1S/C22H21ClFNO4/c1-12(2)19(11-26)25-10-16(22(28)29)21(27)15-9-13(6-7-18(15)25)8-14-4-3-5-17(23)20(14)24/h3-7,9-10,12,19,26H,8,11H2,1-2H3,(H,28,29)/t19-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity


J Med Chem 49: 1506-8 (2006)


Article DOI: 10.1021/jm0600139
BindingDB Entry DOI: 10.7270/Q2H131NP
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50183274
PNG
(6-(3-Chloro-2-fluorobenzyl)-1-(2-hydroxyethyl)-7-m...)
Show SMILES COc1cc2n(CCO)cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F
Show InChI InChI=1S/C20H17ClFNO5/c1-28-17-9-16-13(19(25)14(20(26)27)10-23(16)5-6-24)8-12(17)7-11-3-2-4-15(21)18(11)22/h2-4,8-10,24H,5-7H2,1H3,(H,26,27)
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n/an/a 9.10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity


J Med Chem 49: 1506-8 (2006)


Article DOI: 10.1021/jm0600139
BindingDB Entry DOI: 10.7270/Q2H131NP
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428878
PNG
(CHEMBL2338479)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(c2)C#N)c(Cl)c1
Show InChI InChI=1S/C18H9Cl4N3O3S/c19-11-1-2-17(14(20)4-11)29(26,27)25-12-5-15(21)18(16(22)6-12)28-13-3-10(7-23)8-24-9-13/h1-6,8-9,25H
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n/an/a 10n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428881
PNG
(CHEMBL2331773)
Show SMILES CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cncc(Cl)c1
Show InChI InChI=1S/C19H12Cl4N2O4S/c1-10(26)15-6-13(25-30(27,28)18-3-2-11(20)5-16(18)22)7-17(23)19(15)29-14-4-12(21)8-24-9-14/h2-9,25H,1H3
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n/an/a 12n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428884
PNG
(CHEMBL2331786)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-9-14(4-5-18(16)30-15-7-13(22)10-24-11-15)26-31(28,29)19-6-3-12(21)8-17(19)23/h3-11,26H,2H2,1H3,(H,25,27)
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n/an/a 15n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428885
PNG
(CHEMBL2331781)
Show SMILES CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C19H13Cl3N2O4S/c1-11(25)16-8-14(3-4-18(16)28-15-6-13(21)9-23-10-15)24-29(26,27)19-5-2-12(20)7-17(19)22/h2-10,24H,1H3
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n/an/a 15n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428854
PNG
(CHEMBL1236924)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
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n/an/a 17n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428883
PNG
(CHEMBL2331774)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H16BrClF3N3O5S/c1-2-28-20(30)16-9-14(4-5-17(16)33-15-8-13(23)10-27-11-15)29-35(31,32)19-6-3-12(22)7-18(19)34-21(24,25)26/h3-11,29H,2H2,1H3,(H,28,30)
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n/an/a 18n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428882
PNG
(CHEMBL2331771)
Show SMILES Fc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cncc(Cl)c1
Show InChI InChI=1S/C17H9Cl4FN2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
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n/an/a 18n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428857
PNG
(CHEMBL2338472)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cnc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C21H13Cl3N2O3S/c22-14-5-8-21(18(24)10-14)30(27,28)26-15-6-7-20(17(23)11-15)29-16-9-13-3-1-2-4-19(13)25-12-16/h1-12,26H
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n/an/a 18n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428877
PNG
(CHEMBL2338480)
Show SMILES Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C18H12Cl4N2O3S/c1-10-4-13(9-23-8-10)27-18-15(21)6-12(7-16(18)22)24-28(25,26)17-3-2-11(19)5-14(17)20/h2-9,24H,1H3
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n/an/a 19n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428887
PNG
(CHEMBL2338487)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C18H13Cl3N2O4S/c1-26-17-8-13(3-4-16(17)27-14-6-12(20)9-22-10-14)23-28(24,25)18-5-2-11(19)7-15(18)21/h2-10,23H,1H3
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n/an/a 19n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428865
PNG
(CHEMBL2338477)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-3-6-20(16(23)9-13)31(28,29)27-14-10-17(24)21(18(25)11-14)30-15-4-5-19-12(8-15)2-1-7-26-19/h1-11,27H
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n/an/a 20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428868
PNG
(CHEMBL2331782)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C17H10Cl4N2O3S/c18-10-1-4-17(15(21)6-10)27(24,25)23-12-2-3-16(14(20)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H
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n/an/a 21n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428864
PNG
(CHEMBL2331772)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C17H9Cl5N2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
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n/an/a 21n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23402
PNG
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
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n/an/a 23n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity


J Med Chem 49: 1506-8 (2006)


Article DOI: 10.1021/jm0600139
BindingDB Entry DOI: 10.7270/Q2H131NP
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50183276
PNG
(6-(3-chloro-2-fluorobenzyl)-1-(2-hydroxyethyl)-4-o...)
Show SMILES OCCn1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12
Show InChI InChI=1S/C19H15ClFNO4/c20-15-3-1-2-12(17(15)21)8-11-4-5-16-13(9-11)18(24)14(19(25)26)10-22(16)6-7-23/h1-5,9-10,23H,6-8H2,(H,25,26)
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n/an/a 24n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity


J Med Chem 49: 1506-8 (2006)


Article DOI: 10.1021/jm0600139
BindingDB Entry DOI: 10.7270/Q2H131NP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428871
PNG
(CHEMBL2331785)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H18Cl3N3O4S/c1-3-26-21(28)16-8-14(4-5-19(16)31-15-7-13(22)10-25-11-15)27-32(29,30)20-6-12(2)17(23)9-18(20)24/h4-11,27H,3H2,1-2H3,(H,26,28)
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n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428874
PNG
(CHEMBL2331777)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(I)cc2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H17ClIN3O4S/c1-2-24-20(26)18-10-15(25-30(27,28)17-6-3-14(22)4-7-17)5-8-19(18)29-16-9-13(21)11-23-12-16/h3-12,25H,2H2,1H3,(H,24,26)
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n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428858
PNG
(CHEMBL2338474)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C22H12Cl3F3N2O3S/c23-16-8-13(22(26,27)28)5-6-20(16)34(31,32)30-14-9-17(24)21(18(25)10-14)33-15-7-12-3-1-2-4-19(12)29-11-15/h1-11,30H
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n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428878
PNG
(CHEMBL2338479)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(c2)C#N)c(Cl)c1
Show InChI InChI=1S/C18H9Cl4N3O3S/c19-11-1-2-17(14(20)4-11)29(26,27)25-12-5-15(21)18(16(22)6-12)28-13-3-10(7-23)8-24-9-13/h1-6,8-9,25H
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n/an/a 27n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428873
PNG
(CHEMBL2338481)
Show SMILES NC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C18H11Cl4N3O4S/c19-10-1-2-16(13(20)4-10)30(27,28)25-11-5-14(21)17(15(22)6-11)29-12-3-9(18(23)26)7-24-8-12/h1-8,25H,(H2,23,26)
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n/an/a 30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428856
PNG
(CHEMBL2338475)
Show SMILES CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cnc2ccccc2c1
Show InChI InChI=1S/C23H16Cl2N2O4S/c1-14(28)19-12-17(27-32(29,30)23-9-6-16(24)11-20(23)25)7-8-22(19)31-18-10-15-4-2-3-5-21(15)26-13-18/h2-13,27H,1H3
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n/an/a 30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428876
PNG
(CHEMBL2338478)
Show SMILES FC(F)(F)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(c1Oc1cncc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C19H9Cl3F6N2O3S/c20-9-1-2-16(15(22)4-9)34(31,32)30-11-5-13(18(23,24)25)17(14(6-11)19(26,27)28)33-12-3-10(21)7-29-8-12/h1-8,30H
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n/an/a 31n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428873
PNG
(CHEMBL2338481)
Show SMILES NC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C18H11Cl4N3O4S/c19-10-1-2-16(13(20)4-10)30(27,28)25-11-5-14(21)17(15(22)6-11)29-12-3-9(18(23)26)7-24-8-12/h1-8,25H,(H2,23,26)
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n/an/a 32n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428870
PNG
(CHEMBL2338482)
Show SMILES CC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C19H12Cl4N2O4S/c1-10(26)11-4-14(9-24-8-11)29-19-16(22)6-13(7-17(19)23)25-30(27,28)18-3-2-12(20)5-15(18)21/h2-9,25H,1H3
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n/an/a 34n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428880
PNG
(CHEMBL2331775)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-8-13(3-6-19(16)30-14-7-12(21)10-24-11-14)26-31(28,29)15-4-5-17(22)18(23)9-15/h3-11,26H,2H2,1H3,(H,25,27)
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n/an/a 35n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428866
PNG
(CHEMBL2331783)
Show SMILES Fc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C17H10Cl3FN2O3S/c18-10-1-4-17(14(20)6-10)27(24,25)23-12-2-3-16(15(21)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H
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n/an/a 36n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428855
PNG
(CHEMBL2338473)
Show SMILES Fc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cnc2ccccc2c1
Show InChI InChI=1S/C21H13Cl2FN2O3S/c22-14-5-8-21(17(23)10-14)30(27,28)26-15-6-7-20(18(24)11-15)29-16-9-13-3-1-2-4-19(13)25-12-16/h1-12,26H
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50235312
PNG
(6-(3-chloro-2-fluorobenzyl)-4-oxo-1,4-dihydroquino...)
Show SMILES OC(=O)c1cnc2ccc(Cc3cccc(Cl)c3F)cc2c1O
Show InChI InChI=1S/C17H11ClFNO3/c18-13-3-1-2-10(15(13)19)6-9-4-5-14-11(7-9)16(21)12(8-20-14)17(22)23/h1-5,7-8H,6H2,(H,20,21)(H,22,23)
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n/an/a 44n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity


J Med Chem 49: 1506-8 (2006)


Article DOI: 10.1021/jm0600139
BindingDB Entry DOI: 10.7270/Q2H131NP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428869
PNG
(CHEMBL2331778)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H17ClN4O6S/c1-2-23-20(26)18-10-14(3-8-19(18)31-16-9-13(21)11-22-12-16)24-32(29,30)17-6-4-15(5-7-17)25(27)28/h3-12,24H,2H2,1H3,(H,23,26)
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n/an/a 49n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428879
PNG
(CHEMBL2331787)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H16Cl2F3N3O4S/c1-2-28-20(30)16-9-14(4-5-18(16)33-15-8-13(22)10-27-11-15)29-34(31,32)19-6-3-12(7-17(19)23)21(24,25)26/h3-11,29H,2H2,1H3,(H,28,30)
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n/an/a 50n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428872
PNG
(CHEMBL2338483)
Show SMILES FC(F)(F)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C18H10Cl3F3N2O3S/c19-10-1-4-17(15(21)6-10)30(27,28)26-12-2-3-16(14(7-12)18(22,23)24)29-13-5-11(20)8-25-9-13/h1-9,26H
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n/an/a 66n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428853
PNG
(CHEMBL2331784)
Show SMILES CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2O5S/c1-2-28-20(25)18-10-15(24-30(26,27)17-6-3-13(21)4-7-17)5-8-19(18)29-16-9-14(22)11-23-12-16/h3-12,24H,2H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428867
PNG
(CHEMBL2338484)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)c(c1)C#N
Show InChI InChI=1S/C18H10Cl3N3O3S/c19-12-1-4-18(16(21)7-12)28(25,26)24-14-2-3-17(11(5-14)8-22)27-15-6-13(20)9-23-10-15/h1-7,9-10,24H
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n/an/a 110n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428875
PNG
(CHEMBL2331776)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H17Cl2N3O4S/c1-2-24-20(26)18-10-15(25-30(27,28)17-6-3-13(21)4-7-17)5-8-19(18)29-16-9-14(22)11-23-12-16/h3-12,25H,2H2,1H3,(H,24,26)
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n/an/a 160n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


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



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428870
PNG
(CHEMBL2338482)
Show SMILES CC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C19H12Cl4N2O4S/c1-10(26)11-4-14(9-24-8-11)29-19-16(22)6-13(7-17(19)23)25-30(27,28)18-3-2-12(20)5-15(18)21/h2-9,25H,1H3
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n/an/a 360n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428871
PNG
(CHEMBL2331785)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H18Cl3N3O4S/c1-3-26-21(28)16-8-14(4-5-19(16)31-15-7-13(22)10-25-11-15)27-32(29,30)20-6-12(2)17(23)9-18(20)24/h4-11,27H,3H2,1-2H3,(H,26,28)
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n/an/a 360n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428860
PNG
(CHEMBL2331559)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H20ClN3O5S/c1-3-24-21(26)19-11-15(4-9-20(19)30-17-10-14(22)12-23-13-17)25-31(27,28)18-7-5-16(29-2)6-8-18/h4-13,25H,3H2,1-2H3,(H,24,26)
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n/an/a 400n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428859
PNG
(CHEMBL2338476)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C22H14Cl3NO3S/c23-16-6-10-22(20(25)12-16)30(27,28)26-17-7-9-21(19(24)13-17)29-18-8-5-14-3-1-2-4-15(14)11-18/h1-13,26H
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n/an/a 480n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428867
PNG
(CHEMBL2338484)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)c(c1)C#N
Show InChI InChI=1S/C18H10Cl3N3O3S/c19-12-1-4-18(16(21)7-12)28(25,26)24-14-2-3-17(11(5-14)8-22)27-15-6-13(20)9-23-10-15/h1-7,9-10,24H
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n/an/a 600n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428865
PNG
(CHEMBL2338477)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-3-6-20(16(23)9-13)31(28,29)27-14-10-17(24)21(18(25)11-14)30-15-4-5-19-12(8-15)2-1-7-26-19/h1-11,27H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428864
PNG
(CHEMBL2331772)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C17H9Cl5N2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428863
PNG
(CHEMBL2338486)
Show SMILES CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C18H13Cl3N2O5S2/c1-29(24,25)18-8-13(3-4-16(18)28-14-6-12(20)9-22-10-14)23-30(26,27)17-5-2-11(19)7-15(17)21/h2-10,23H,1H3
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n/an/a 1.44E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428862
PNG
(CHEMBL2338485)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C18H13Cl3N2O3S/c1-11-6-14(3-4-17(11)26-15-7-13(20)9-22-10-15)23-27(24,25)18-5-2-12(19)8-16(18)21/h2-10,23H,1H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50183277
PNG
(6-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic A...)
Show SMILES OC(=O)c1cnc2ccc(Cc3ccccc3)cc2c1O
Show InChI InChI=1S/C17H13NO3/c19-16-13-9-12(8-11-4-2-1-3-5-11)6-7-15(13)18-10-14(16)17(20)21/h1-7,9-10H,8H2,(H,18,19)(H,20,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity


J Med Chem 49: 1506-8 (2006)


Article DOI: 10.1021/jm0600139
BindingDB Entry DOI: 10.7270/Q2H131NP
More data for this
Ligand-Target Pair
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