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Compile Data Set for Download or QSAR

Found 7 hits of kd for UniProtKB: P43354   
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 4 group A member 2


(Homo sapiens (Human))
BDBM50358747
PNG
(CHEMBL325917)
Show SMILES Brc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
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Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00585
BindingDB Entry DOI: 10.7270/Q24T6PD2
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50294169
PNG
(5-chloro-1H-indole | CHEMBL555013)
Show SMILES Clc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
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n/an/an/a 1.50E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00585
BindingDB Entry DOI: 10.7270/Q24T6PD2
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50131433
PNG
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
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n/an/an/a 2.00E+4n/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to Nurr1 (unknown origin) by 1H-STD-NMR spectroscopy


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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PubMed
n/an/an/a 5.00E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00585
BindingDB Entry DOI: 10.7270/Q24T6PD2
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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PubMed
n/an/an/a 5.00E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00585
BindingDB Entry DOI: 10.7270/Q24T6PD2
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/an/a 5.00E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00585
BindingDB Entry DOI: 10.7270/Q24T6PD2
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50117925
PNG
(1-(4-fluorobenzyl)-N-(piperidin-4-yl)-1H-benzo[d]i...)
Show SMILES Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)23-19(24)22-16-9-11-21-12-10-16/h1-8,16,21H,9-13H2,(H,22,23)
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n/an/an/a 1.00E+5n/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to Nurr1 (unknown origin) by 1H-STD-NMR spectroscopy


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair