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Compile Data Set for Download or QSAR

Found 90 hits of ec50 data for polymerid = 50003994   
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 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517820
PNG
(CHEMBL4473232)
Show SMILES OCc1cccc(c1F)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClFN2O/c21-16-7-4-13(5-8-16)18-11-24-10-14(6-9-19(24)23-18)17-3-1-2-15(12-25)20(17)22/h1-11,25H,12H2
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n/an/an/an/a 14n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50580049
PNG
(CHEMBL5086921)
Show SMILES OC(=O)c1ccc2nc([nH]c2c1)-c1ccc(F)cc1
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n/an/an/an/a 24n/an/an/an/a


TBA

Assay Description
Agonist activity at full length NURR1 (unknown origin) expressed in mouse MND9 cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00894
BindingDB Entry DOI: 10.7270/Q24J0K0D
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517810
PNG
(CHEMBL4579076)
Show SMILES Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)n1
Show InChI InChI=1S/C18H12FN5O/c19-15-5-3-6-16(22-15)23-18(25)14-11-24-10-12(7-8-17(24)21-14)13-4-1-2-9-20-13/h1-11H,(H,22,23,25)
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n/an/an/an/a 25n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517819
PNG
(CHEMBL4475176)
Show SMILES OCc1c(F)ccc(c1F)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H13ClF2N2O/c21-14-4-1-12(2-5-14)18-10-25-9-13(3-8-19(25)24-18)15-6-7-17(22)16(11-26)20(15)23/h1-10,26H,11H2
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n/an/an/an/a 38n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517811
PNG
(CHEMBL4576867)
Show SMILES OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-18-7-4-15(5-8-18)19-12-23-11-17(6-9-20(23)22-19)16-3-1-2-14(10-16)13-24/h1-12,24H,13H2
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n/an/an/an/a 45n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517814
PNG
(CHEMBL4461137)
Show SMILES CC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c1-14(25)16-3-2-4-17(11-16)18-7-10-21-23-20(13-24(21)12-18)15-5-8-19(22)9-6-15/h2-14,25H,1H3
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n/an/an/an/a 75n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517837
PNG
(CHEMBL4455501)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN3O/c1-23-21(26)16-4-2-3-15(11-16)17-7-10-20-24-19(13-25(20)12-17)14-5-8-18(22)9-6-14/h2-13H,1H3,(H,23,26)
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n/an/an/an/a 87n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM86707
PNG
(CAS_147511-69-1 | Pitavastatin)
Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O |r|
Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
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n/an/an/an/a 120n/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))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517833
PNG
(CHEMBL4472621)
Show SMILES O=C(Nc1ccccc1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C19H14N4O/c24-19(21-15-6-2-1-3-7-15)17-13-23-12-14(9-10-18(23)22-17)16-8-4-5-11-20-16/h1-13H,(H,21,24)
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n/an/an/an/a 140n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517832
PNG
(CHEMBL4564985)
Show SMILES CC(C)(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O/c1-22(2,26)18-5-3-4-16(12-18)17-8-11-21-24-20(14-25(21)13-17)15-6-9-19(23)10-7-15/h3-14,26H,1-2H3
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n/an/an/an/a 218n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517814
PNG
(CHEMBL4461137)
Show SMILES CC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c1-14(25)16-3-2-4-17(11-16)18-7-10-21-23-20(13-24(21)12-18)15-5-8-19(22)9-6-15/h2-14,25H,1H3
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517814
PNG
(CHEMBL4461137)
Show SMILES CC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c1-14(25)16-3-2-4-17(11-16)18-7-10-21-23-20(13-24(21)12-18)15-5-8-19(22)9-6-15/h2-14,25H,1H3
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517817
PNG
(CHEMBL4446736)
Show SMILES OC1(COC1)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClN2O2/c23-19-7-4-15(5-8-19)20-12-25-11-17(6-9-21(25)24-20)16-2-1-3-18(10-16)22(26)13-27-14-22/h1-12,26H,13-14H2
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517809
PNG
(CHEMBL4587411)
Show SMILES CCC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O/c1-2-21(26)17-5-3-4-16(12-17)18-8-11-22-24-20(14-25(22)13-18)15-6-9-19(23)10-7-15/h3-14,21,26H,2H2,1H3
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517812
PNG
(CHEMBL4454933)
Show SMILES O=C(Nc1nncs1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C15H10N6OS/c22-14(19-15-20-17-9-23-15)12-8-21-7-10(4-5-13(21)18-12)11-3-1-2-6-16-11/h1-9H,(H,19,20,22)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517813
PNG
(CHEMBL4464547)
Show SMILES Fc1cc(F)cc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1
Show InChI InChI=1S/C19H12F2N4O/c20-13-7-14(21)9-15(8-13)23-19(26)17-11-25-10-12(4-5-18(25)24-17)16-3-1-2-6-22-16/h1-11H,(H,23,26)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517815
PNG
(CHEMBL4559712)
Show SMILES CC(O)(CO)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O2/c1-22(27,14-26)18-4-2-3-16(11-18)17-7-10-21-24-20(13-25(21)12-17)15-5-8-19(23)9-6-15/h2-13,26-27H,14H2,1H3
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517816
PNG
(CHEMBL4440984)
Show SMILES OC1(CCOCC1)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN2O2/c25-21-7-4-17(5-8-21)22-16-27-15-19(6-9-23(27)26-22)18-2-1-3-20(14-18)24(28)10-12-29-13-11-24/h1-9,14-16,28H,10-13H2
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517818
PNG
(CHEMBL4453694)
Show SMILES Cc1ccc(cc1CO)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c1-14-2-3-16(10-18(14)13-25)17-6-9-21-23-20(12-24(21)11-17)15-4-7-19(22)8-5-15/h2-12,25H,13H2,1H3
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517821
PNG
(CHEMBL4521080)
Show SMILES O=C(Nc1cnoc1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5O2/c22-16(19-12-7-18-23-10-12)14-9-21-8-11(4-5-15(21)20-14)13-3-1-2-6-17-13/h1-10H,(H,19,22)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517822
PNG
(CHEMBL4450849)
Show SMILES O=C(Nc1ccon1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5O2/c22-16(19-14-6-8-23-20-14)13-10-21-9-11(4-5-15(21)18-13)12-3-1-2-7-17-12/h1-10H,(H,19,20,22)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517823
PNG
(CHEMBL4435806)
Show SMILES O=C(Nc1nccs1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5OS/c22-15(20-16-18-7-8-23-16)13-10-21-9-11(4-5-14(21)19-13)12-3-1-2-6-17-12/h1-10H,(H,18,20,22)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517824
PNG
(CHEMBL4455780)
Show SMILES O=C(Nc1ccccn1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C18H13N5O/c24-18(22-16-6-2-4-10-20-16)15-12-23-11-13(7-8-17(23)21-15)14-5-1-3-9-19-14/h1-12H,(H,20,22,24)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517825
PNG
(CHEMBL4473547)
Show SMILES O=C(Nc1ccccc1C#N)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C20H13N5O/c21-11-14-5-1-2-7-17(14)24-20(26)18-13-25-12-15(8-9-19(25)23-18)16-6-3-4-10-22-16/h1-10,12-13H,(H,24,26)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517826
PNG
(CHEMBL4453191)
Show SMILES Fc1ccc(F)c(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1
Show InChI InChI=1S/C19H12F2N4O/c20-13-5-6-14(21)16(9-13)24-19(26)17-11-25-10-12(4-7-18(25)23-17)15-3-1-2-8-22-15/h1-11H,(H,24,26)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517827
PNG
(CHEMBL4528015)
Show SMILES Clc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C19H13ClN4O/c20-14-5-1-2-7-16(14)23-19(25)17-12-24-11-13(8-9-18(24)22-17)15-6-3-4-10-21-15/h1-12H,(H,23,25)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517830
PNG
(CHEMBL4475835)
Show SMILES Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1F
Show InChI InChI=1S/C19H12F2N4O/c20-13-4-3-6-15(18(13)21)24-19(26)16-11-25-10-12(7-8-17(25)23-16)14-5-1-2-9-22-14/h1-11H,(H,24,26)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517844
PNG
(CHEMBL4521819)
Show SMILES Cc1c(CO)cccc1-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c1-14-17(13-25)3-2-4-19(14)16-7-10-21-23-20(12-24(21)11-16)15-5-8-18(22)9-6-15/h2-12,25H,13H2,1H3
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517846
PNG
(CHEMBL4441108)
Show SMILES CC(C)(O)c1c(F)ccc(-c2ccc3nc(cn3c2)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C22H17ClF2N2O/c1-22(2,28)20-17(24)9-8-16(21(20)25)14-5-10-19-26-18(12-27(19)11-14)13-3-6-15(23)7-4-13/h3-12,28H,1-2H3
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517847
PNG
(CHEMBL4451443)
Show SMILES OCc1cc(ccc1F)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClFN2O/c21-17-5-1-13(2-6-17)19-11-24-10-15(4-8-20(24)23-19)14-3-7-18(22)16(9-14)12-25/h1-11,25H,12H2
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517828
PNG
(CHEMBL4465777)
Show SMILES O=C(Nc1cc[nH]n1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H12N6O/c23-16(20-14-6-8-18-21-14)13-10-22-9-11(4-5-15(22)19-13)12-3-1-2-7-17-12/h1-10H,(H2,18,20,21,23)
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Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517829
PNG
(CHEMBL4542579)
Show SMILES O=C(Nc1cccs1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C17H12N4OS/c22-17(20-16-5-3-9-23-16)14-11-21-10-12(6-7-15(21)19-14)13-4-1-2-8-18-13/h1-11H,(H,20,22)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517831
PNG
(CHEMBL4516628)
Show SMILES Fc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C19H13FN4O/c20-14-5-1-2-7-16(14)23-19(25)17-12-24-11-13(8-9-18(24)22-17)15-6-3-4-10-21-15/h1-12H,(H,23,25)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517851
PNG
(CHEMBL4440924)
Show SMILES Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1
Show InChI InChI=1S/C19H13FN4O/c20-14-4-3-5-15(10-14)22-19(25)17-12-24-11-13(7-8-18(24)23-17)16-6-1-2-9-21-16/h1-12H,(H,22,25)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517843
PNG
(CHEMBL4546699)
Show SMILES NC(=O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN3O/c21-17-7-4-13(5-8-17)18-12-24-11-16(6-9-19(24)23-18)14-2-1-3-15(10-14)20(22)25/h1-12H,(H2,22,25)
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n/an/an/an/a 1.59E+3n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50571364
PNG
(CHEMBL4856824)
Show SMILES CC(C)C(C)Nc1ccnc2cc(Cl)ccc12
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n/an/an/an/a 1.80E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01779
BindingDB Entry DOI: 10.7270/Q2Z60SV3
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM86704
PNG
(CAS_93957-54-1 | Fluvastatin | cid_446155)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1
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n/an/an/an/a 1.90E+3n/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))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 193-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.062
BindingDB Entry DOI: 10.7270/Q23T9J2R
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517836
PNG
(CHEMBL4542143)
Show SMILES Clc1ccc(cc1)-c1cn2cc(ccc2n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C24H22ClN3O/c25-22-7-4-19(5-8-22)23-17-28-16-21(6-9-24(28)26-23)20-3-1-2-18(14-20)15-27-10-12-29-13-11-27/h1-9,14,16-17H,10-13,15H2
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n/an/an/an/a>3.00E+3n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
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