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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 5 group A member 2' and Ligand = 'BDBM50511467'   
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
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511467
PNG
(CHEMBL4551205)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](NS(N)(=O)=O)C2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1
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1.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00235
BindingDB Entry DOI: 10.7270/Q23J3J2Q
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511467
PNG
(CHEMBL4551205)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](NS(N)(=O)=O)C2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of 6N-FAM from human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence p...


ACS Med Chem Lett 11: 365-370 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00442
BindingDB Entry DOI: 10.7270/Q2K35Z0D
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511467
PNG
(CHEMBL4551205)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](NS(N)(=O)=O)C2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of 6N-FAM from LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence polariz...


ACS Med Chem Lett 11: 365-370 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00442
BindingDB Entry DOI: 10.7270/Q2K35Z0D
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511467
PNG
(CHEMBL4551205)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](NS(N)(=O)=O)C2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1
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n/an/an/a 320n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00235
BindingDB Entry DOI: 10.7270/Q23J3J2Q
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511467
PNG
(CHEMBL4551205)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](NS(N)(=O)=O)C2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1
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n/an/an/a 2.10E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00235
BindingDB Entry DOI: 10.7270/Q23J3J2Q
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511467
PNG
(CHEMBL4551205)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](NS(N)(=O)=O)C2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1
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UniChem
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n/an/an/a 620n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00235
BindingDB Entry DOI: 10.7270/Q23J3J2Q
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511467
PNG
(CHEMBL4551205)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](NS(N)(=O)=O)C2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1
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n/an/an/an/a 100n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00235
BindingDB Entry DOI: 10.7270/Q23J3J2Q
More data for this
Ligand-Target Pair