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PubMed code 16033272

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50170872
PNG
((E)-3-(3'-Adamantan-1-yl-4'-hydroxy-biphenyl-4-yl)...)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:32:27:34:33.31.30,THB:28:27:33:34.29.30|
Show InChI InChI=1S/C31H32N2O2/c32-27-3-1-2-4-28(27)33-30(35)12-7-20-5-8-24(9-6-20)25-10-11-29(34)26(16-25)31-17-21-13-22(18-31)15-23(14-21)19-31/h1-12,16,21-23,34H,13-15,17-19,32H2,(H,33,35)/b12-7+
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PubMed
n/an/an/an/a 1.76E+4n/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor

J Med Chem 48: 4931-46 (2005)


Article DOI: 10.1021/jm049440h
BindingDB Entry DOI: 10.7270/Q2CN73DV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50170887
PNG
((E)-3-(3'-Adamantan-1-yl-4'-hydroxy-biphenyl-4-yl)...)
Show SMILES Oc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2ccc(O)c(c2)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:26:27:31:24.25.30,THB:28:27:24:31.29.30|
Show InChI InChI=1S/C31H31NO3/c33-27-9-7-26(8-10-27)32-30(35)12-3-20-1-4-24(5-2-20)25-6-11-29(34)28(16-25)31-17-21-13-22(18-31)15-23(14-21)19-31/h1-12,16,21-23,33-34H,13-15,17-19H2,(H,32,35)/b12-3+
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n/an/an/an/a 7.70E+3n/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Binding affinity towards aldosterone receptor (Mineralocorticoid receptor)

J Med Chem 48: 4931-46 (2005)


Article DOI: 10.1021/jm049440h
BindingDB Entry DOI: 10.7270/Q2CN73DV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50170869
PNG
((E)-3-(4'-Hydroxy-biphenyl-4-yl)-acrylic acid | CH...)
Show SMILES OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-10,16H,(H,17,18)/b10-3+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor

J Med Chem 48: 4931-46 (2005)


Article DOI: 10.1021/jm049440h
BindingDB Entry DOI: 10.7270/Q2CN73DV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50124518
PNG
((E)-3-(3'-Adamantan-1-yl-4'-hydroxy-biphenyl-4-yl)...)
Show SMILES OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:16:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C25H26O3/c26-23-7-6-21(20-4-1-16(2-5-20)3-8-24(27)28)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,26H,9-11,13-15H2,(H,27,28)/b8-3+
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n/an/an/an/a 200n/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells

J Med Chem 48: 4931-46 (2005)


Article DOI: 10.1021/jm049440h
BindingDB Entry DOI: 10.7270/Q2CN73DV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50170868
PNG
((E)-3-(4'-Hydroxy-[1,1';3',1'']terphenyl-4-yl)-acr...)
Show SMILES OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C21H16O3/c22-20-12-11-18(14-19(20)17-4-2-1-3-5-17)16-9-6-15(7-10-16)8-13-21(23)24/h1-14,22H,(H,23,24)/b13-8+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells

J Med Chem 48: 4931-46 (2005)


Article DOI: 10.1021/jm049440h
BindingDB Entry DOI: 10.7270/Q2CN73DV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50170866
PNG
((E)-3-(3'-Cyclohexylmethyl-4'-hydroxy-biphenyl-4-y...)
Show SMILES OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(CC2CCCCC2)c1
Show InChI InChI=1S/C22H24O3/c23-21-12-11-19(15-20(21)14-17-4-2-1-3-5-17)18-9-6-16(7-10-18)8-13-22(24)25/h6-13,15,17,23H,1-5,14H2,(H,24,25)/b13-8+
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n/an/an/an/a 5.30E+3n/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor

J Med Chem 48: 4931-46 (2005)


Article DOI: 10.1021/jm049440h
BindingDB Entry DOI: 10.7270/Q2CN73DV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%