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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'wrobel' and Initial = 'je'   
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
Substance-K receptor


(Homo sapiens (Human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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330n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human neurokinin NK2 receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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850n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human histamine H2 receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50375821
PNG
(TANAPROGET)
Show SMILES Cn1c(ccc1-c1ccc2NC(=S)OC(C)(C)c2c1)C#N
Show InChI InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GR ligand binding domain expressed in african green monkey COS7 cells in presence of Dexamethasone by Gal4 hybrid assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256836
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cnc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C29H31N7O2/c1-29(2,3)20-9-7-19(8-10-20)25-31-21-5-4-6-23(24(21)33-25)36-13-11-35(12-14-36)17-18-15-22-26(30-16-18)34-28(38)27(37)32-22/h4-10,15-16H,11-14,17H2,1-3H3,(H,31,33)(H,32,37)(H,30,34,38)
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n/an/a 1.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315277
PNG
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375823
PNG
(CHEMBL407847)
Show SMILES Cn1c(ccc1-c1cc2c(NC(=O)C22CCCC2)c(F)c1)C#N
Show InChI InChI=1S/C18H16FN3O/c1-22-12(10-20)4-5-15(22)11-8-13-16(14(19)9-11)21-17(23)18(13)6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H,21,23)
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50144435
PNG
(1-methyl-5-[2'-oxospiro[cyclohexane-1,3'-(2',3'-di...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C19H19N3O/c1-22-14(12-20)6-8-17(22)13-5-7-16-15(11-13)19(18(23)21-16)9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)
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n/an/a 3.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375817
PNG
(CHEMBL272663)
Show SMILES CCC1(CC)C(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C
Show InChI InChI=1S/C18H19N3O/c1-4-18(5-2)14-10-12(6-8-15(14)20-17(18)22)16-9-7-13(11-19)21(16)3/h6-10H,4-5H2,1-3H3,(H,20,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256834
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES Cn1c2cc(CN3CCN(CC3)c3cccc4[nH]c(nc34)-c3ccc(cc3)C(C)(C)C)ccc2[nH]c(=O)c1=O
Show InChI InChI=1S/C31H34N6O2/c1-31(2,3)22-11-9-21(10-12-22)28-32-24-6-5-7-25(27(24)34-28)37-16-14-36(15-17-37)19-20-8-13-23-26(18-20)35(4)30(39)29(38)33-23/h5-13,18H,14-17,19H2,1-4H3,(H,32,34)(H,33,38)
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n/an/a 3.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375822
PNG
(CHEMBL408648)
Show SMILES Cn1c(ccc1-c1cc2c(NC(=O)C22CCCCC2)c(F)c1)C#N
Show InChI InChI=1S/C19H18FN3O/c1-23-13(11-21)5-6-16(23)12-9-14-17(15(20)10-12)22-18(24)19(14)7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,24)
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n/an/a 3.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375827
PNG
(CHEMBL407848 | WAY-255348)
Show SMILES Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N
Show InChI InChI=1S/C16H14FN3O/c1-16(2)11-6-9(7-12(17)14(11)19-15(16)21)13-5-4-10(8-18)20(13)3/h4-7H,1-3H3,(H,19,21)
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n/an/a 4.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315276
PNG
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cn2cccc(N3CCN(Cc4c[nH]c(=O)[nH]c4=O)CC3)c2n1
Show InChI InChI=1S/C26H30N6O2/c1-26(2,3)20-8-6-18(7-9-20)21-17-32-10-4-5-22(23(32)28-21)31-13-11-30(12-14-31)16-19-15-27-25(34)29-24(19)33/h4-10,15,17H,11-14,16H2,1-3H3,(H2,27,29,33,34)
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n/an/a 4.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375831
PNG
(CHEMBL429572)
Show SMILES Cn1c(ccc1-c1cc2c(N(CC=C)C(=O)C2(C)C)c(F)c1)C#N
Show InChI InChI=1S/C19H18FN3O/c1-5-8-23-17-14(19(2,3)18(23)24)9-12(10-15(17)20)16-7-6-13(11-21)22(16)4/h5-7,9-10H,1,8H2,2-4H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50144438
PNG
(5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)OC(C)(C)c2c1)C#N
Show InChI InChI=1S/C16H15N3O2/c1-16(2)12-8-10(4-6-13(12)18-15(20)21-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,20)
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n/an/a 4.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 4.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375824
PNG
(CHEMBL429928)
Show SMILES CCC1(CC)C(=O)Nc2c1cc(cc2F)-c1ccc(C#N)n1C
Show InChI InChI=1S/C18H18FN3O/c1-4-18(5-2)13-8-11(9-14(19)16(13)21-17(18)23)15-7-6-12(10-20)22(15)3/h6-9H,4-5H2,1-3H3,(H,21,23)
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n/an/a 4.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375827
PNG
(CHEMBL407848 | WAY-255348)
Show SMILES Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N
Show InChI InChI=1S/C16H14FN3O/c1-16(2)11-6-9(7-12(17)14(11)19-15(16)21)13-5-4-10(8-18)20(13)3/h4-7H,1-3H3,(H,19,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315277
PNG
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GNRH receptor assessed as inhibition of D-Trp6-GNRH-induced IP accumulation after 1 hr by rapid filtration a...


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375826
PNG
(CHEMBL270714)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C(C)(C)c2c1F)C#N
Show InChI InChI=1S/C16H14FN3O/c1-16(2)13-11(19-15(16)21)6-5-10(14(13)17)12-7-4-9(8-18)20(12)3/h4-7H,1-3H3,(H,19,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256835
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)n(Cc4cccnc4)c3c2)CC1
Show InChI InChI=1S/C36H37N7O2/c1-36(2,3)27-12-10-26(11-13-27)33-38-29-7-4-8-30(32(29)40-33)42-18-16-41(17-19-42)22-24-9-14-28-31(20-24)43(35(45)34(44)39-28)23-25-6-5-15-37-21-25/h4-15,20-21H,16-19,22-23H2,1-3H3,(H,38,40)(H,39,44)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50315277
PNG
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
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n/an/a 5.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from rat recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258205
PNG
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-33-19-29-24(20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-23-26(25)31-27(30-23)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375826
PNG
(CHEMBL270714)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C(C)(C)c2c1F)C#N
Show InChI InChI=1S/C16H14FN3O/c1-16(2)13-11(19-15(16)21)6-5-10(14(13)17)12-7-4-9(8-18)20(12)3/h4-7H,1-3H3,(H,19,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human AR ligand binding domain expressed in african green monkey COS7 cells in presence of 5-alpha-dihydrotestosterone by Gal4...


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315275
PNG
(2-(4-tert-butylphenyl)-8-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-32-20-29-24(21(32)2)18-31-14-16-33(17-15-31)26-8-7-13-34-19-25(30-27(26)34)22-9-11-23(12-10-22)28(3,4)5/h7-13,19-20H,6,14-18H2,1-5H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human AR ligand binding domain expressed in african green monkey COS7 cells in presence of 5-alpha-dihydrotestosterone by Gal4...


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256834
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES Cn1c2cc(CN3CCN(CC3)c3cccc4[nH]c(nc34)-c3ccc(cc3)C(C)(C)C)ccc2[nH]c(=O)c1=O
Show InChI InChI=1S/C31H34N6O2/c1-31(2,3)22-11-9-21(10-12-22)28-32-24-6-5-7-25(27(24)34-28)37-16-14-36(15-17-37)19-20-8-13-23-26(18-20)35(4)30(39)29(38)33-23/h5-13,18H,14-17,19H2,1-4H3,(H,32,34)(H,33,38)
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n/an/a 7.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375816
PNG
(CHEMBL407622)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H17N3O/c1-21-13(11-19)5-7-16(21)12-4-6-15-14(10-12)18(17(22)20-15)8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,20,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 9n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant LXRbeta ligand binding domain


J Med Chem 53: 3296-304 (2010)


Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256836
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cnc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C29H31N7O2/c1-29(2,3)20-9-7-19(8-10-20)25-31-21-5-4-6-23(24(21)33-25)36-13-11-35(12-14-36)17-18-15-22-26(30-16-18)34-28(38)27(37)32-22/h4-10,15-16H,11-14,17H2,1-3H3,(H,31,33)(H,32,37)(H,30,34,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315271
PNG
(2-(4-tert-butylphenyl)-8-(4-((2-ethyl-5-methyl-1H-...)
Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C28H36N6/c1-6-26-29-20(2)23(30-26)18-32-14-16-33(17-15-32)25-8-7-13-34-19-24(31-27(25)34)21-9-11-22(12-10-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,29,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375818
PNG
(CHEMBL270908)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C16H15N3O/c1-16(2)12-8-10(4-6-13(12)18-15(16)20)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50261251
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-ethyl-4-methyl-1H-...)
Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C28H36N6/c1-6-25-29-19(2)23(30-25)18-33-14-16-34(17-15-33)24-9-7-8-22-26(24)32-27(31-22)20-10-12-21(13-11-20)28(3,4)5/h7-13H,6,14-18H2,1-5H3,(H,29,30)(H,31,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50315275
PNG
(2-(4-tert-butylphenyl)-8-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-32-20-29-24(21(32)2)18-31-14-16-33(17-15-31)26-8-7-13-34-19-25(30-27(26)34)22-9-11-23(12-10-22)28(3,4)5/h7-13,19-20H,6,14-18H2,1-5H3
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from rat recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375834
PNG
(CHEMBL271804)
Show SMILES CC(C)N1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
Show InChI InChI=1S/C19H20FN3O/c1-11(2)23-17-14(19(3,4)18(23)24)8-12(9-15(17)20)16-7-6-13(10-21)22(16)5/h6-9,11H,1-5H3
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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MMDB

NCI pathway
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n/an/a 13n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human LXRalpha ligand binding domain


J Med Chem 53: 3296-304 (2010)


Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256835
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)n(Cc4cccnc4)c3c2)CC1
Show InChI InChI=1S/C36H37N7O2/c1-36(2,3)27-12-10-26(11-13-27)33-38-29-7-4-8-30(32(29)40-33)42-18-16-41(17-19-42)22-24-9-14-28-31(20-24)43(35(45)34(44)39-28)23-25-6-5-15-37-21-25/h4-15,20-21H,16-19,22-23H2,1-3H3,(H,38,40)(H,39,44)
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375823
PNG
(CHEMBL407847)
Show SMILES Cn1c(ccc1-c1cc2c(NC(=O)C22CCCC2)c(F)c1)C#N
Show InChI InChI=1S/C18H16FN3O/c1-22-12(10-20)4-5-15(22)11-8-13-16(14(19)9-11)21-17(23)18(13)6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H,21,23)
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n/an/a 14.7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375836
PNG
(CHEMBL271552)
Show SMILES CN1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
Show InChI InChI=1S/C17H16FN3O/c1-17(2)12-7-10(14-6-5-11(9-19)20(14)3)8-13(18)15(12)21(4)16(17)22/h5-8H,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258205
PNG
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-33-19-29-24(20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-23-26(25)31-27(30-23)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31)
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GNRH receptor assessed as inhibition of D-Trp6-GNRH-induced IP accumulation after 1 hr by rapid filtration a...


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50121163
PNG
(3-(2'-oxo-1',2'-dihydrospiro[cyclohexane-1,3'-indo...)
Show SMILES O=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H18N2O/c21-13-14-5-4-6-15(11-14)16-7-8-18-17(12-16)20(19(23)22-18)9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256881
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3NC(=O)CNc3c2)CC1
Show InChI InChI=1S/C30H34N6O/c1-30(2,3)22-10-8-21(9-11-22)29-33-24-5-4-6-26(28(24)34-29)36-15-13-35(14-16-36)19-20-7-12-23-25(17-20)31-18-27(37)32-23/h4-12,17,31H,13-16,18-19H2,1-3H3,(H,32,37)(H,33,34)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256881
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3NC(=O)CNc3c2)CC1
Show InChI InChI=1S/C30H34N6O/c1-30(2,3)22-10-8-21(9-11-22)29-33-24-5-4-6-26(28(24)34-29)36-15-13-35(14-16-36)19-20-7-12-23-25(17-20)31-18-27(37)32-23/h4-12,17,31H,13-16,18-19H2,1-3H3,(H,32,37)(H,33,34)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50256834
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES Cn1c2cc(CN3CCN(CC3)c3cccc4[nH]c(nc34)-c3ccc(cc3)C(C)(C)C)ccc2[nH]c(=O)c1=O
Show InChI InChI=1S/C31H34N6O2/c1-31(2,3)22-11-9-21(10-12-22)28-32-24-6-5-7-25(27(24)34-28)37-16-14-36(15-17-37)19-20-8-13-23-26(18-20)35(4)30(39)29(38)33-23/h5-13,18H,14-17,19H2,1-4H3,(H,32,34)(H,33,38)
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from rat recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
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