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Compile Data Set for Download or QSAR

Found 13 hits of kd for UniProtKB: O00482   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50511469
PNG
(CHEMBL4515639)
Show SMILES [H][C@@]12CC(CCCCCCCCCC(=O)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)=C(c3ccccc3)[C@@]1(CC[C@@H]2NS(N)(=O)=O)C(=C)c1ccccc1 |r,t:45|
Show InChI InChI=1S/C52H53N3O8S/c1-33(34-15-10-7-11-16-34)51-28-27-45(55-64(53,60)61)44(51)29-36(49(51)35-17-12-8-13-18-35)19-9-5-3-2-4-6-14-20-48(58)54-37-21-24-41-40(30-37)50(59)63-52(41)42-25-22-38(56)31-46(42)62-47-32-39(57)23-26-43(47)52/h7-8,10-13,15-18,21-26,30-32,44-45,55-57H,1-6,9,14,19-20,27-29H2,(H,54,58)(H2,53,60,61)/t44-,45-,51-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS measured after overnight incubation by fluorescence...


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))
BDBM50511469
PNG
(CHEMBL4515639)
Show SMILES [H][C@@]12CC(CCCCCCCCCC(=O)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)=C(c3ccccc3)[C@@]1(CC[C@@H]2NS(N)(=O)=O)C(=C)c1ccccc1 |r,t:45|
Show InChI InChI=1S/C52H53N3O8S/c1-33(34-15-10-7-11-16-34)51-28-27-45(55-64(53,60)61)44(51)29-36(49(51)35-17-12-8-13-18-35)19-9-5-3-2-4-6-14-20-48(58)54-37-21-24-41-40(30-37)50(59)63-52(41)42-25-22-38(56)31-46(42)62-47-32-39(57)23-26-43(47)52/h7-8,10-13,15-18,21-26,30-32,44-45,55-57H,1-6,9,14,19-20,27-29H2,(H,54,58)(H2,53,60,61)/t44-,45-,51-/m0/s1
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n/an/an/a 4.80n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to human apo-form LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS measured after overnight incubation by flu...


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))
BDBM50605641
PNG
(CHEMBL5177743)
Show SMILES NS(=O)(=O)N[C@H]1CC[C@@]2(C1CC(CCCCCCCCCC(O)=O)=C2c1ccccc1)C(=C)c1ccccc1 |r,c:24|
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n/an/an/a 120n/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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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))
BDBM50605641
PNG
(CHEMBL5177743)
Show SMILES NS(=O)(=O)N[C@H]1CC[C@@]2(C1CC(CCCCCCCCCC(O)=O)=C2c1ccccc1)C(=C)c1ccccc1 |r,c:24|
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n/an/an/a 340n/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))
BDBM50605640
PNG
(CHEMBL5198453)
Show SMILES O[C@@H]1CC[C@@]2(C1CC(CCCCCCCCCC(O)=O)=C2c1ccccc1)C(=C)c1ccccc1 |r,c:20|
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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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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))
BDBM50605640
PNG
(CHEMBL5198453)
Show SMILES O[C@@H]1CC[C@@]2(C1CC(CCCCCCCCCC(O)=O)=C2c1ccccc1)C(=C)c1ccccc1 |r,c:20|
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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))
BDBM50511468
PNG
(CHEMBL4452196)
Show SMILES [H][C@@]12CC(CCCCCCCCCC(=O)OC)=C(c3ccccc3)[C@@]1(CC[C@@H]2N)C(=C)c1ccccc1 |r,t:16|
Show InChI InChI=1S/C33H43NO2/c1-25(26-16-11-8-12-17-26)33-23-22-30(34)29(33)24-28(32(33)27-18-13-9-14-19-27)20-10-6-4-3-5-7-15-21-31(35)36-2/h8-9,11-14,16-19,29-30H,1,3-7,10,15,20-24,34H2,2H3/t29-,30-,33-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human LRH1 LBD (294 to 541 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay


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))
BDBM50605641
PNG
(CHEMBL5177743)
Show SMILES NS(=O)(=O)N[C@H]1CC[C@@]2(C1CC(CCCCCCCCCC(O)=O)=C2c1ccccc1)C(=C)c1ccccc1 |r,c:24|
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n/an/an/a 1.80E+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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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))
BDBM50605640
PNG
(CHEMBL5198453)
Show SMILES O[C@@H]1CC[C@@]2(C1CC(CCCCCCCCCC(O)=O)=C2c1ccccc1)C(=C)c1ccccc1 |r,c:20|
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n/an/an/a 2.50E+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))
BDBM50511470
PNG
(CHEMBL4448429)
Show SMILES CCCCNC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H31NO2/c1-8-9-10-20-17(22)14-11-13(18(2,3)4)12-15(16(14)21)19(5,6)7/h11-12,21H,8-10H2,1-7H3,(H,20,22)
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n/an/an/a 6.29E+4n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human LRH1 LBD (294 to 541 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay


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