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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'ahmad' and Initial = 'a'   
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
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibit the binding of [N-mnethyl-3H]-scopolamine [3H]-NMS) to Muscarinic acetylcholine receptor of human IRM-30 neuroblastoma cells


J Med Chem 30: 805-9 (1987)


Article DOI: 10.1021/jm00388a010
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibit the binding of [N-mnethyl-3H]-scopolamine [3H]-NMS) to Muscarinic acetylcholine receptor of human IRM-30 neuroblastoma cells


J Med Chem 30: 805-9 (1987)


Article DOI: 10.1021/jm00388a010
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibit the binding of [N-mnethyl-3H]-scopolamine [3H]-NMS) to Muscarinic acetylcholine receptor of human IRM-30 neuroblastoma cells


J Med Chem 30: 805-9 (1987)


Article DOI: 10.1021/jm00388a010
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004244
PNG
(CHEMBL3237461)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C24H18N4O3S/c1-15-23-22(18-7-3-6-10-21(18)32(29,30)27(23)2)26-28(15)17-13-11-16(12-14-17)24-25-19-8-4-5-9-20(19)31-24/h3-14H,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133663
PNG
(5-{3-[3-(4-Benzoyl-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)c1ccccc1
Show InChI InChI=1S/C28H27NO5S/c1-2-8-20-17-21(25(30)19-9-4-3-5-10-19)13-14-24(20)34-16-7-15-33-23-12-6-11-22(18-23)26-27(31)29-28(32)35-26/h3-6,9-14,17-18,31H,2,7-8,15-16H2,1H3,(H,29,32)
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n/an/a 19n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004238
PNG
(CHEMBL3237453)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C25H19N5O4S/c1-14-23-22(18-5-3-4-6-21(18)35(33,34)29(23)2)28-30(14)17-10-7-15(8-11-17)24-26-19-12-9-16(25(31)32)13-20(19)27-24/h3-13H,1-2H3,(H,26,27)(H,31,32)
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n/an/a 26n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131514
PNG
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31)
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n/an/a 30n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133661
PNG
(5-{3-[3-(4-Benzo[d]isoxazol-3-yl-2-propyl-phenoxy)...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)-c1noc2ccccc12
Show InChI InChI=1S/C28H26N2O5S/c1-2-7-18-16-19(25-22-10-3-4-11-24(22)35-30-25)12-13-23(18)34-15-6-14-33-21-9-5-8-20(17-21)26-27(31)29-28(32)36-26/h3-5,8-13,16-17,31H,2,6-7,14-15H2,1H3,(H,29,32)
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n/an/a 30n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133658
PNG
(5-{3-[3-(4-Cyclohexyloxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(OC2CCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H33NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h6,9,12-14,17-18,21,29H,2-5,7-8,10-11,15-16H2,1H3,(H,28,30)
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n/an/a 37n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004241
PNG
(CHEMBL3233057)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C25H21N5O2S/c1-15-8-13-20-21(14-15)27-25(26-20)17-9-11-18(12-10-17)30-16(2)24-23(28-30)19-6-4-5-7-22(19)33(31,32)29(24)3/h4-14H,1-3H3,(H,26,27)
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n/an/a 41n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004240
PNG
(CHEMBL3237456)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H19N5O2S/c1-15-23-22(18-7-3-6-10-21(18)32(30,31)28(23)2)27-29(15)17-13-11-16(12-14-17)24-25-19-8-4-5-9-20(19)26-24/h3-14H,1-2H3,(H,25,26)
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n/an/a 43n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004248
PNG
(CHEMBL3237466)
Show SMILES CN1c2c(nn(c2-c2ccccc2)-c2ccc(cc2)-c2nc3ccccc3[nH]2)-c2ccccc2S1(=O)=O
Show InChI InChI=1S/C29H21N5O2S/c1-33-28-26(22-11-5-8-14-25(22)37(33,35)36)32-34(27(28)19-9-3-2-4-10-19)21-17-15-20(16-18-21)29-30-23-12-6-7-13-24(23)31-29/h2-18H,1H3,(H,30,31)
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n/an/a 43n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133654
PNG
(5-{3-[3-(4-Cyclohexanecarbonyl-2-propyl-phenoxy)-p...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H33NO5S/c1-2-8-20-17-21(25(30)19-9-4-3-5-10-19)13-14-24(20)34-16-7-15-33-23-12-6-11-22(18-23)26-27(31)29-28(32)35-26/h6,11-14,17-19,31H,2-5,7-10,15-16H2,1H3,(H,29,32)
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n/an/a 46n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126019
PNG
(CHEMBL1783033 | CHEMBL23874 | {3-Chloro-4-[3-(3-hy...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc(C(CC)N=O)c1O
Show InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25-29)30-11-5-12-31-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,19,28H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 48n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004239
PNG
(CHEMBL3237455)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C24H18BrN5O2S/c1-14-23-22(18-5-3-4-6-21(18)33(31,32)29(23)2)28-30(14)17-10-7-15(8-11-17)24-26-19-12-9-16(25)13-20(19)27-24/h3-13H,1-2H3,(H,26,27)
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n/an/a 49n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131512
PNG
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/a 56n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131503
PNG
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
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n/an/a 57n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131503
PNG
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
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n/an/a 57n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133666
PNG
(5-{3-[3-(4-Cyclohexylmethyl-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H35NO4S/c1-2-8-22-18-21(17-20-9-4-3-5-10-20)13-14-25(22)33-16-7-15-32-24-12-6-11-23(19-24)26-27(30)29-28(31)34-26/h6,11-14,18-20,30H,2-5,7-10,15-17H2,1H3,(H,29,31)
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n/an/a 59n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133667
PNG
(5-{3-[3-(4-Cyclopentyloxy-2-propyl-phenoxy)-propox...)
Show SMILES CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C26H31NO5S/c1-2-7-18-16-22(32-20-9-3-4-10-20)12-13-23(18)31-15-6-14-30-21-11-5-8-19(17-21)24-25(28)27-26(29)33-24/h5,8,11-13,16-17,20,28H,2-4,6-7,9-10,14-15H2,1H3,(H,27,29)
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n/an/a 63n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131511
PNG
(5-(3-{3-[4-(3,4-Dichloro-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(29)16-21)9-11-24(17)34-13-4-12-33-19-7-3-6-18(15-19)25-26(31)30-27(32)36-25/h3,6-11,14-16,31H,2,4-5,12-13H2,1H3,(H,30,32)
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n/an/a 64n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 70n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131504
PNG
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/a 73n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131502
PNG
(5-{3-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)
Show SMILES Oc1[nH]c(=O)sc1-c1cccc(OCCCOc2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-6-4-9-21(16-17)29-15-5-14-28-18-10-12-20(13-11-18)30-19-7-2-1-3-8-19/h1-4,6-13,16,26H,5,14-15H2,(H,25,27)
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n/an/a 76n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131506
PNG
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/a 77n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131505
PNG
(5-(3-{3-[4-(4-Fluoro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/a 78n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133669
PNG
(5-{3-[3-(4-Cycloheptyloxy-2-propyl-phenoxy)-propox...)
Show SMILES CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H35NO5S/c1-2-9-20-18-24(34-22-11-5-3-4-6-12-22)14-15-25(20)33-17-8-16-32-23-13-7-10-21(19-23)26-27(30)29-28(31)35-26/h7,10,13-15,18-19,22,30H,2-6,8-9,11-12,16-17H2,1H3,(H,29,31)
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n/an/a 85n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085040
PNG
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1
Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31)
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n/an/a 94n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 140n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133656
PNG
(5-(3-{3-[4-(4-Chloro-benzoyl)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H26ClNO5S/c1-2-5-19-16-20(25(31)18-8-11-22(29)12-9-18)10-13-24(19)35-15-4-14-34-23-7-3-6-21(17-23)26-27(32)30-28(33)36-26/h3,6-13,16-17,32H,2,4-5,14-15H2,1H3,(H,30,33)
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n/an/a 144n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346490
PNG
((S)-5-(3-(3-(4-(cyclohexylidenemethyl)-2-propylphe...)
Show SMILES CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H33NO4S/c1-2-8-22-18-21(17-20-9-4-3-5-10-20)13-14-25(22)33-16-7-15-32-24-12-6-11-23(19-24)26-27(30)29-28(31)34-26/h6,11-14,17-19,30H,2-5,7-10,15-16H2,1H3,(H,29,31)
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n/an/a 150n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131509
PNG
(5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,32H,4,6-7,16-17H2,1-3H3,(H,31,33)
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n/an/a 170n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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n/an/a 180n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346507
PNG
((S)-5-(3-(3-(4-((1r,4r)-4-hydroxycyclohexyl)-2-pro...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C27H33NO6/c1-2-5-20-16-19(18-8-11-22(29)12-9-18)10-13-24(20)33-15-4-14-32-23-7-3-6-21(17-23)25-26(30)28-27(31)34-25/h3,6-7,10,13,16-18,22,29-30H,2,4-5,8-9,11-12,14-15H2,1H3,(H,28,31)/t18-,22-
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n/an/a 180n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004250
PNG
(CHEMBL3237473)
Show SMILES CCOC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-n1nc-2c(N(C)S(=O)(=O)c3ccccc-23)c1-c1ccccc1
Show InChI InChI=1S/C32H25N5O4S/c1-3-41-32(38)22-15-18-25-26(19-22)34-31(33-25)21-13-16-23(17-14-21)37-29(20-9-5-4-6-10-20)30-28(35-37)24-11-7-8-12-27(24)42(39,40)36(30)2/h4-19H,3H2,1-2H3,(H,33,34)
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n/an/a 180n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131501
PNG
(5-{3-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-9-20-18-24(34-22-11-4-3-5-12-22)14-15-25(20)33-17-7-6-16-32-23-13-8-10-21(19-23)26-27(30)29-28(31)35-26/h3-5,8,10-15,18-19,30H,2,6-7,9,16-17H2,1H3,(H,29,31)
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n/an/a 195n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
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 210n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131513
PNG
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36)
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n/an/a 226n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004242
PNG
(CHEMBL3237457)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C26H23N5O2S/c1-15-13-21-22(14-16(15)2)28-26(27-21)18-9-11-19(12-10-18)31-17(3)25-24(29-31)20-7-5-6-8-23(20)34(32,33)30(25)4/h5-14H,1-4H3,(H,27,28)
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n/an/a 273n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131510
PNG
(5-(3-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-7-23-19-27(37-25-12-10-22(11-13-25)18-21(2)3)14-15-28(23)36-17-6-16-35-26-9-5-8-24(20-26)29-30(33)32-31(34)38-29/h5,8-15,19-21,33H,4,6-7,16-18H2,1-3H3,(H,32,34)
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n/an/a 291n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131508
PNG
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31)
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n/an/a 300n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18692
PNG
((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Show SMILES C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Universität Leipzig

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human CV1 cells assessed as inhibition of receptor-mediated transactivation by MMTV-lucif...


Bioorg Med Chem 18: 6960-9 (2010)


Article DOI: 10.1016/j.bmc.2010.08.029
BindingDB Entry DOI: 10.7270/Q2WW7HW5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126020
PNG
(CHEMBL25710 | {3-Chloro-4-[3-(3-hydroxy-4-propiony...)
Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC
Show InChI InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 300n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131515
PNG
(5-(3-{3-[4-(4-tert-Butyl-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-5-8-21-19-26(37-24-13-11-23(12-14-24)31(2,3)4)15-16-27(21)36-18-7-17-35-25-10-6-9-22(20-25)28-29(33)32-30(34)38-28/h6,9-16,19-20,33H,5,7-8,17-18H2,1-4H3,(H,32,34)
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n/an/a 335n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346496
PNG
((R)-5-(3-(3-(4-cyclohexyl-2-propylphenoxy)propoxy)...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C1CCCCC1
Show InChI InChI=1S/C27H33NO4S/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h6,11-14,17-19,29H,2-5,7-10,15-16H2,1H3,(H,28,30)
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n/an/a 340n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133652
PNG
(5-{3-[3-(3-Propyl-biphenyl-4-yloxy)-propoxy]-pheny...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
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n/an/a 450n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133655
PNG
(5-{3-[3-(4-Cyclohexyl-2-propyl-phenoxy)-propoxy]-p...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCCCC1
Show InChI InChI=1S/C27H33NO5/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h6,11-14,17-19,29H,2-5,7-10,15-16H2,1H3,(H,28,30)
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n/an/a 490n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50327040
PNG
(17-[(6S)-6-Methyl-5,6-dihydropyridin-2(1H)-one-6-y...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1
Show InChI InChI=1S/C25H35NO2/c1-23-13-10-17(27)15-16(23)6-7-18-19-8-9-21(24(19,2)14-11-20(18)23)25(3)12-4-5-22(28)26-25/h4-5,15,18-21H,6-14H2,1-3H3,(H,26,28)/t18-,19-,20-,21-,23-,24-,25-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Universität Leipzig

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human CV1 cells assessed as inhibition of receptor-mediated transactivation by MMTV-lucif...


Bioorg Med Chem 18: 6960-9 (2010)


Article DOI: 10.1016/j.bmc.2010.08.029
BindingDB Entry DOI: 10.7270/Q2WW7HW5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133659
PNG
(5-(3-{3-[4-(4,4-Difluoro-cyclohexyl)-2-propyl-phen...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H31F2NO5/c1-2-5-20-16-19(18-10-12-27(28,29)13-11-18)8-9-23(20)34-15-4-14-33-22-7-3-6-21(17-22)24-25(31)30-26(32)35-24/h3,6-9,16-18,31H,2,4-5,10-15H2,1H3,(H,30,32)
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n/an/a 540n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
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