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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'courouble' and Initial = 'vv'   
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))
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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0.150n/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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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))
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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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))
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))
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 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))
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 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))
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))
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 720n/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))
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/an/a 43n/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/an/a 1.70E+3n/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))
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