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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 4 group A member 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 4 group A member 2


(Homo sapiens)
BDBM50196289
PNG
(6-(4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5...)
Show SMILES COc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C20H16N2O3/c1-22-16(13-8-10-15(24-2)11-9-13)12-17-18(20(22)23)19(21-25-17)14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/an/an/a 4.10n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371201
PNG
(CHEMBL399807)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(COCCO)cc1
Show InChI InChI=1S/C22H20N2O4/c1-24-18(16-9-7-15(8-10-16)14-27-12-11-25)13-19-20(22(24)26)21(23-28-19)17-5-3-2-4-6-17/h2-10,13,25H,11-12,14H2,1H3
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n/an/an/an/a 3.5n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50196291
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3-phenylisox...)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
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n/an/an/an/a 0.800n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371202
PNG
(CHEMBL393714)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccncc1
Show InChI InChI=1S/C18H13N3O2/c1-21-14(12-7-9-19-10-8-12)11-15-16(18(21)22)17(20-23-15)13-5-3-2-4-6-13/h2-11H,1H3
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n/an/an/an/a 130n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371203
PNG
(CHEMBL247263)
Show SMILES Cc1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C14H12N2O2/c1-9-8-11-12(14(17)16(9)2)13(15-18-11)10-6-4-3-5-7-10/h3-8H,1-2H3
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n/an/an/an/a>2.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371210
PNG
(CHEMBL247879)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C22H21N3O2/c1-24(2)14-15-9-11-16(12-10-15)18-13-19-20(22(26)25(18)3)21(23-27-19)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
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n/an/an/an/a 26n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371205
PNG
(CHEMBL393713)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3onc(-c4ccccc4)c3c(=O)n2C)CC1
Show InChI InChI=1S/C25H26N4O2/c1-27-12-14-29(15-13-27)17-18-8-10-19(11-9-18)21-16-22-23(25(30)28(21)2)24(26-31-22)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3
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n/an/an/an/a 31.9n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371206
PNG
(CHEMBL401032)
Show SMILES COCCOCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C23H22N2O4/c1-25-19(17-10-8-16(9-11-17)15-28-13-12-27-2)14-20-21(23(25)26)22(24-29-20)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3
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n/an/an/an/a 3.90n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371207
PNG
(CHEMBL247676)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H18N2O3/c1-27-21(17-12-14-20(15-13-17)29-19-10-6-3-7-11-19)16-22-23(25(27)28)24(26-30-22)18-8-4-2-5-9-18/h2-16H,1H3
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n/an/an/an/a>2.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371208
PNG
(ISOXAZOLOPYRIDINONE)
Show SMILES O=c1[nH]c(cc2onc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C18H12N2O2/c21-18-16-15(11-14(19-18)12-7-3-1-4-8-12)22-20-17(16)13-9-5-2-6-10-13/h1-11H,(H,19,21)
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n/an/an/an/a 77.5n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371209
PNG
(CHEMBL246654)
Show SMILES COc1ccc(c(OC)c1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C21H18N2O4/c1-23-16(15-10-9-14(25-2)11-17(15)26-3)12-18-19(21(23)24)20(22-27-18)13-7-5-4-6-8-13/h4-12H,1-3H3
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n/an/an/an/a 59.2n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens)
BDBM50371204
PNG
(CHEMBL247478)
Show SMILES CC(C)OCCOCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C25H26N2O4/c1-17(2)30-14-13-29-16-18-9-11-19(12-10-18)21-15-22-23(25(28)27(21)3)24(26-31-22)20-7-5-4-6-8-20/h4-12,15,17H,13-14,16H2,1-3H3
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n/an/an/an/a 113n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair