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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 323.5
BDBM22374
Wt: 357.5
BDBM22380
Wt: 289.4
BDBM22384
Wt: 359.5
BDBM22385
Wt: 357.5
BDBM22386
Wt: 351.4
BDBM22388
Wt: 312.4
BDBM50418299
Wt: 336.5
BDBM50418300
Wt: 326.5
BDBM50418301
Wt: 340.5
BDBM50418302
Wt: 342.5
BDBM50418304
Wt: 350.5
BDBM50418318
Wt: 354.5
BDBM50418319
Wt: 326.5
BDBM50418320
Wt: 352.5
BDBM50418329
Displayed 1 to 15 (of 52 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 31 hits in this display   
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
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418299
PNG
(CHEMBL1765926)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OCC
Show InChI InChI=1S/C22H32O/c1-3-5-6-8-14-19-17-20-15-11-16-22(20,23-4-2)21(19)18-12-9-7-10-13-18/h7,9-10,12-13,20H,3-6,8,11,14-17H2,1-2H3/t20-,22+/m1/s1
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM22388
PNG
((3aS,6aR)-N,4,5-triphenyl-1,2,3,3a,6,6a-hexahydrop...)
Show SMILES C1C[C@@H]2CC(=C(c3ccccc3)[C@@]2(C1)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N/c1-4-11-20(12-5-1)24-19-22-15-10-18-26(22,27-23-16-8-3-9-17-23)25(24)21-13-6-2-7-14-21/h1-9,11-14,16-17,22,27H,10,15,18-19H2/t22-,26+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human SF1 and a peptide der...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418301
PNG
(CHEMBL1765928)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OC(C)C
Show InChI InChI=1S/C23H34O/c1-4-5-6-8-14-20-17-21-15-11-16-23(21,24-18(2)3)22(20)19-12-9-7-10-13-19/h7,9-10,12-13,18,21H,4-6,8,11,14-17H2,1-3H3/t21-,23+/m1/s1
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n/an/an/an/a 3.16E+3n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418302
PNG
(CHEMBL1765929)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OCCCC
Show InChI InChI=1S/C24H36O/c1-3-5-7-9-15-21-19-22-16-12-17-24(22,25-18-6-4-2)23(21)20-13-10-8-11-14-20/h8,10-11,13-14,22H,3-7,9,12,15-19H2,1-2H3/t22-,24+/m1/s1
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n/an/an/an/a 5.01E+3n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM22385
PNG
((3aS,6aR)-5-hexyl-N,4-diphenyl-1,2,3,3a,6,6a-hexah...)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C26H33N/c1-2-3-4-7-15-22-20-23-16-12-19-26(23,27-24-17-10-6-11-18-24)25(22)21-13-8-5-9-14-21/h5-6,8-11,13-14,17-18,23,27H,2-4,7,12,15-16,19-20H2,1H3/t23-,26+/m1/s1
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n/an/an/an/a 31.6n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM50418304
PNG
(CHEMBL1765953)
Show SMILES CCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)C(=C)c1ccccc1
Show InChI InChI=1S/C26H30/c1-3-4-12-23-19-24-17-11-18-26(24,20(2)21-13-7-5-8-14-21)25(23)22-15-9-6-10-16-22/h5-10,13-16,24H,2-4,11-12,17-19H2,1H3/t24-,26+/m1/s1
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n/an/an/an/a 39.8n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM22385
PNG
((3aS,6aR)-5-hexyl-N,4-diphenyl-1,2,3,3a,6,6a-hexah...)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C26H33N/c1-2-3-4-7-15-22-20-23-16-12-19-26(23,27-24-17-10-6-11-18-24)25(22)21-13-8-5-9-14-21/h5-6,8-11,13-14,17-18,23,27H,2-4,7,12,15-16,19-20H2,1H3/t23-,26+/m1/s1
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n/an/an/an/a 39.8n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM50418300
PNG
(CHEMBL1765941)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)C(=C)CCC
Show InChI InChI=1S/C25H36/c1-4-6-7-9-16-22-19-23-17-12-18-25(23,20(3)13-5-2)24(22)21-14-10-8-11-15-21/h8,10-11,14-15,23H,3-7,9,12-13,16-19H2,1-2H3/t23-,25+/m1/s1
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n/an/an/an/a 158n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM50418318
PNG
(CHEMBL1765942)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)C(=C)CCCC
Show InChI InChI=1S/C26H38/c1-4-6-8-10-17-23-20-24-18-13-19-26(24,21(3)14-7-5-2)25(23)22-15-11-9-12-16-22/h9,11-12,15-16,24H,3-8,10,13-14,17-20H2,1-2H3/t24-,26+/m1/s1
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n/an/an/an/a 200n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM50418319
PNG
(CHEMBL1765930)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OCC(C)CC
Show InChI InChI=1S/C25H38O/c1-4-6-7-9-15-22-18-23-16-12-17-25(23,26-19-20(3)5-2)24(22)21-13-10-8-11-14-21/h8,10-11,13-14,20,23H,4-7,9,12,15-19H2,1-3H3/t20?,23-,25+/m1/s1
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n/an/an/an/a 200n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM50418320
PNG
(CHEMBL1765927)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OCCC
Show InChI InChI=1S/C23H34O/c1-3-5-6-8-14-20-18-21-15-11-16-23(21,24-17-4-2)22(20)19-12-9-7-10-13-19/h7,9-10,12-13,21H,3-6,8,11,14-18H2,1-2H3/t21-,23+/m1/s1
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n/an/an/an/a 200n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418304
PNG
(CHEMBL1765953)
Show SMILES CCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)C(=C)c1ccccc1
Show InChI InChI=1S/C26H30/c1-3-4-12-23-19-24-17-11-18-26(24,20(2)21-13-7-5-8-14-21)25(23)22-15-9-6-10-16-22/h5-10,13-16,24H,2-4,11-12,17-19H2,1H3/t24-,26+/m1/s1
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n/an/an/an/a 200n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM50418302
PNG
(CHEMBL1765929)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OCCCC
Show InChI InChI=1S/C24H36O/c1-3-5-7-9-15-21-19-22-16-12-17-24(22,25-18-6-4-2)23(21)20-13-10-8-11-14-20/h8,10-11,13-14,22H,3-7,9,12,15-19H2,1-2H3/t22-,24+/m1/s1
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n/an/an/an/a 251n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM50418301
PNG
(CHEMBL1765928)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OC(C)C
Show InChI InChI=1S/C23H34O/c1-4-5-6-8-14-20-17-21-15-11-16-23(21,24-18(2)3)22(20)19-12-9-7-10-13-19/h7,9-10,12-13,18,21H,4-6,8,11,14-17H2,1-3H3/t21-,23+/m1/s1
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n/an/an/an/a 398n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM50418299
PNG
(CHEMBL1765926)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OCC
Show InChI InChI=1S/C22H32O/c1-3-5-6-8-14-19-17-20-15-11-16-22(20,23-4-2)21(19)18-12-9-7-10-13-18/h7,9-10,12-13,20H,3-6,8,11,14-17H2,1-2H3/t20-,22+/m1/s1
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n/an/an/an/a 501n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418329
PNG
(CHEMBL1765951)
Show SMILES CCCCCCC1=C(CCCO)[C@@]2(CCC[C@@H]2C1)C(=C)c1ccccc1
Show InChI InChI=1S/C25H36O/c1-3-4-5-7-14-22-19-23-15-10-17-25(23,24(22)16-11-18-26)20(2)21-12-8-6-9-13-21/h6,8-9,12-13,23,26H,2-5,7,10-11,14-19H2,1H3/t23-,25+/m1/s1
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n/an/an/an/a 794n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418318
PNG
(CHEMBL1765942)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)C(=C)CCCC
Show InChI InChI=1S/C26H38/c1-4-6-8-10-17-23-20-24-18-13-19-26(24,21(3)14-7-5-2)25(23)22-15-11-9-12-16-22/h9,11-12,15-16,24H,3-8,10,13-14,17-20H2,1-2H3/t24-,26+/m1/s1
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418319
PNG
(CHEMBL1765930)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OCC(C)CC
Show InChI InChI=1S/C25H38O/c1-4-6-7-9-15-22-18-23-16-12-17-25(23,26-19-20(3)5-2)24(22)21-13-10-8-11-14-21/h8,10-11,13-14,20,23H,4-7,9,12,15-19H2,1-3H3/t20?,23-,25+/m1/s1
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418320
PNG
(CHEMBL1765927)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)OCCC
Show InChI InChI=1S/C23H34O/c1-3-5-6-8-14-20-18-21-15-11-16-23(21,24-17-4-2)22(20)19-12-9-7-10-13-19/h7,9-10,12-13,21H,3-6,8,11,14-18H2,1-2H3/t21-,23+/m1/s1
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PubMed
n/an/an/an/a 2.51E+3n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM22374
PNG
((3aS,6aR)-4-methyl-5-[(4E)-oct-4-en-4-yl]-N-phenyl...)
Show SMILES CCC\C=C(/CCC)C1=C(C)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C23H33N/c1-4-6-12-19(11-5-2)22-17-20-13-10-16-23(20,18(22)3)24-21-14-8-7-9-15-21/h7-9,12,14-15,20,24H,4-6,10-11,13,16-17H2,1-3H3/b19-12+/t20-,23-/m1/s1
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n/an/an/an/a 90n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM22380
PNG
((3aS,6aR)-5-[(3E)-hex-3-en-3-yl]-N,4-diphenyl-1,2,...)
Show SMILES CC\C=C(/CC)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C26H31N/c1-3-12-20(4-2)24-19-22-15-11-18-26(22,27-23-16-9-6-10-17-23)25(24)21-13-7-5-8-14-21/h5-10,12-14,16-17,22,27H,3-4,11,15,18-19H2,1-2H3/b20-12+/t22-,26+/m1/s1
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PubMed
n/an/an/an/a 1.40E+3n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM22384
PNG
((3aS,6aR)-5-methyl-N,4-diphenyl-1,2,3,3a,6,6a-hexa...)
Show SMILES CC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C21H23N/c1-16-15-18-11-8-14-21(18,22-19-12-6-3-7-13-19)20(16)17-9-4-2-5-10-17/h2-7,9-10,12-13,18,22H,8,11,14-15H2,1H3/t18-,21+/m1/s1
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n/an/an/an/a 2.10E+3n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM22385
PNG
((3aS,6aR)-5-hexyl-N,4-diphenyl-1,2,3,3a,6,6a-hexah...)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C26H33N/c1-2-3-4-7-15-22-20-23-16-12-19-26(23,27-24-17-10-6-11-18-24)25(22)21-13-8-5-9-14-21/h5-6,8-11,13-14,17-18,23,27H,2-4,7,12,15-16,19-20H2,1H3/t23-,26+/m1/s1
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n/an/an/an/a 34n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM22386
PNG
((3aS,6aR)-5-cyclohexyl-N,4-diphenyl-1,2,3,3a,6,6a-...)
Show SMILES C1C[C@@H]2CC(C3CCCCC3)=C(c3ccccc3)[C@@]2(C1)Nc1ccccc1
Show InChI InChI=1S/C26H31N/c1-4-11-20(12-5-1)24-19-22-15-10-18-26(22,27-23-16-8-3-9-17-23)25(24)21-13-6-2-7-14-21/h2-3,6-9,13-14,16-17,20,22,27H,1,4-5,10-12,15,18-19H2/t22-,26+/m1/s1
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n/an/an/an/a 230n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM22388
PNG
((3aS,6aR)-N,4,5-triphenyl-1,2,3,3a,6,6a-hexahydrop...)
Show SMILES C1C[C@@H]2CC(=C(c3ccccc3)[C@@]2(C1)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N/c1-4-11-20(12-5-1)24-19-22-15-10-18-26(22,27-23-16-8-3-9-17-23)25(24)21-13-6-2-7-14-21/h1-9,11-14,16-17,22,27H,10,15,18-19H2/t22-,26+/m1/s1
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n/an/an/an/a 150n/an/a7.522



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM22374
PNG
((3aS,6aR)-4-methyl-5-[(4E)-oct-4-en-4-yl]-N-phenyl...)
Show SMILES CCC\C=C(/CCC)C1=C(C)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C23H33N/c1-4-6-12-19(11-5-2)22-17-20-13-10-16-23(20,18(22)3)24-21-14-8-7-9-15-21/h7-9,12,14-15,20,24H,4-6,10-11,13,16-17H2,1-3H3/b19-12+/t20-,23-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human SF1 and a peptide der...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM22380
PNG
((3aS,6aR)-5-[(3E)-hex-3-en-3-yl]-N,4-diphenyl-1,2,...)
Show SMILES CC\C=C(/CC)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C26H31N/c1-3-12-20(4-2)24-19-22-15-11-18-26(22,27-23-16-9-6-10-17-23)25(24)21-13-7-5-8-14-21/h5-10,12-14,16-17,22,27H,3-4,11,15,18-19H2,1-2H3/b20-12+/t22-,26+/m1/s1
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n/an/an/an/a 800n/an/an/an/a



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human SF1 and a peptide der...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM22384
PNG
((3aS,6aR)-5-methyl-N,4-diphenyl-1,2,3,3a,6,6a-hexa...)
Show SMILES CC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C21H23N/c1-16-15-18-11-8-14-21(18,22-19-12-6-3-7-13-19)20(16)17-9-4-2-5-10-17/h2-7,9-10,12-13,18,22H,8,11,14-15H2,1H3/t18-,21+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human SF1 and a peptide der...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM22385
PNG
((3aS,6aR)-5-hexyl-N,4-diphenyl-1,2,3,3a,6,6a-hexah...)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1
Show InChI InChI=1S/C26H33N/c1-2-3-4-7-15-22-20-23-16-12-19-26(23,27-24-17-10-6-11-18-24)25(22)21-13-8-5-9-14-21/h5-6,8-11,13-14,17-18,23,27H,2-4,7,12,15-16,19-20H2,1H3/t23-,26+/m1/s1
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n/an/an/an/a 43n/an/an/an/a



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human SF1 and a peptide der...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM22386
PNG
((3aS,6aR)-5-cyclohexyl-N,4-diphenyl-1,2,3,3a,6,6a-...)
Show SMILES C1C[C@@H]2CC(C3CCCCC3)=C(c3ccccc3)[C@@]2(C1)Nc1ccccc1
Show InChI InChI=1S/C26H31N/c1-4-11-20(12-5-1)24-19-22-15-10-18-26(22,27-23-16-8-3-9-17-23)25(24)21-13-6-2-7-14-21/h2-3,6-9,13-14,16-17,20,22,27H,1,4-5,10-12,15,18-19H2/t22-,26+/m1/s1
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n/an/an/an/a 180n/an/an/an/a



University of Southampton



Assay Description
The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human SF1 and a peptide der...


J Med Chem 49: 6652-5 (2006)


Article DOI: 10.1021/jm060990k
BindingDB Entry DOI: 10.7270/Q2930RGT
More data for this
Ligand-Target Pair
Liver Receptor Homolog 1


(Homo sapiens (human))
BDBM50418300
PNG
(CHEMBL1765941)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)C(=C)CCC
Show InChI InChI=1S/C25H36/c1-4-6-7-9-16-22-19-23-17-12-18-25(23,20(3)13-5-2)24(22)21-14-10-8-11-15-21/h8,10-11,14-15,23H,3-7,9,12-13,16-19H2,1-2H3/t23-,25+/m1/s1
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n/an/an/an/a 3.16E+3n/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control


J Med Chem 54: 2266-81 (2011)


Article DOI: 10.1021/jm1014296
BindingDB Entry DOI: 10.7270/Q29Z957P
More data for this
Ligand-Target Pair