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PubMed code 27815118

Compile data set for download or QSAR
Found 112 hits of Enzyme Inhibition Constant Data   
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 ROR-gamma


(Homo sapiens (Human))		BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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n/an/a 31n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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n/an/a 40n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in human CD4+ T cells assessed as inhibition of IL-17A release after 4 days by HTRF assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203506
PNG
(CHEMBL3977048)
Show SMILES Cc1noc(C)c1[C@H](O)c1cc2cc(CC(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3C)ccc2o1 |r|
Show InChI InChI=1S/C31H30N2O4/c1-18-10-12-25(19(2)14-18)30(23-8-6-5-7-9-23)32-28(34)16-22-11-13-26-24(15-22)17-27(36-26)31(35)29-20(3)33-37-21(29)4/h5-15,17,30-31,35H,16H2,1-4H3,(H,32,34)/t30-,31+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203497
PNG
(CHEMBL3924898)
Show SMILES CN(C)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17Cl2N3O4/c1-28(2)22(30)15-10-11-16-19(12-15)29(23(31)20-17(25)4-3-5-18(20)26)27-21(16)13-6-8-14(9-7-13)24(32)33/h3-12H,1-2H3,(H,32,33)
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n/an/a 54n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203542
PNG
(CHEMBL3218921)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h1-11H,(H,27,28)
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n/an/a 60n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50445877
PNG
(CHEMBL3105681)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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n/an/a 80n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203513
PNG
(CHEMBL3913238)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C20H11Cl2FN2O3/c21-14-4-2-5-15(22)18(14)28-19-13-3-1-6-16(23)17(13)25(24-19)12-9-7-11(8-10-12)20(26)27/h1-10H,(H,26,27)
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n/an/a 88n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203493
PNG
(CHEMBL3912204)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(C)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20ClN3O4/c1-14-5-4-6-19(25)21(14)32-22-18-13-16(23(29)27(2)3)9-12-20(18)28(26-22)17-10-7-15(8-11-17)24(30)31/h4-13H,1-3H3,(H,30,31)
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n/an/a 120n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203508
PNG
(CHEMBL3968165)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H12Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203493
PNG
(CHEMBL3912204)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(C)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20ClN3O4/c1-14-5-4-6-19(25)21(14)32-22-18-13-16(23(29)27(2)3)9-12-20(18)28(26-22)17-10-7-15(8-11-17)24(30)31/h4-13H,1-3H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in human CD4+ T cells assessed as inhibition of IL-17A release after 4 days by HTRF assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203541
PNG
(CHEMBL3948265)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H11Cl2FN2O3/c21-13-5-3-6-14(22)18(13)28-19-12-4-1-2-7-16(12)25(24-19)17-9-8-11(20(26)27)10-15(17)23/h1-10H,(H,26,27)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203459
PNG
(CHEMBL3894222)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2c(F)cccc12
Show InChI InChI=1S/C20H11Cl2FN2O3/c21-13-3-1-4-14(22)18(13)28-19-17-15(23)5-2-6-16(17)25(24-19)12-9-7-11(8-10-12)20(26)27/h1-10H,(H,26,27)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203496
PNG
(CHEMBL3929577)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O4/c1-27(2)22(29)14-8-11-19-16(12-14)21(32-20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203465
PNG
(CHEMBL3929358)
Show SMILES OC(=O)c1cc(F)c(c(F)c1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12 |(5.25,-19.06,;6.29,-20.19,;7.81,-19.94,;5.75,-21.64,;6.74,-22.82,;6.19,-24.27,;7.17,-25.45,;4.68,-24.52,;3.69,-23.34,;2.18,-23.59,;4.24,-21.89,;4.14,-25.97,;4.99,-27.25,;4.04,-28.45,;4.44,-29.94,;5.93,-30.32,;6.35,-31.81,;5.27,-32.91,;7.84,-32.19,;8.92,-31.09,;8.5,-29.61,;7.01,-29.22,;6.61,-27.74,;2.58,-27.92,;1.22,-28.63,;-.08,-27.81,;-.02,-26.27,;1.36,-25.56,;2.65,-26.38,)|
Show InChI InChI=1S/C20H10Cl2F2N2O3/c21-12-5-3-6-13(22)18(12)29-19-11-4-1-2-7-16(11)26(25-19)17-14(23)8-10(20(27)28)9-15(17)24/h1-9H,(H,27,28)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203546
PNG
(CHEMBL3920663)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(C)cccc3C)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H23N3O3S/c1-15-6-5-7-16(2)22(15)32-23-20-14-18(24(29)27(3)4)10-13-21(20)28(26-23)19-11-8-17(9-12-19)25(30)31/h5-14H,1-4H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203487
PNG
(CHEMBL3961289)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-8-11-19-16(12-14)21(32-20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203463
PNG
(CHEMBL3979349)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C24H15Cl2F2N3O3S/c25-17-2-1-3-18(26)20(17)35-21-16-10-14(22(32)30-11-24(27,28)12-30)6-9-19(16)31(29-21)15-7-4-13(5-8-15)23(33)34/h1-10H,11-12H2,(H,33,34)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203459
PNG
(CHEMBL3894222)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2c(F)cccc12
Show InChI InChI=1S/C20H11Cl2FN2O3/c21-13-3-1-4-14(22)18(13)28-19-17-15(23)5-2-6-16(17)25(24-19)12-9-7-11(8-10-12)20(26)27/h1-10H,(H,26,27)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203544
PNG
(CHEMBL3928131)
Show SMILES Cc1cccc2n(nc(Oc3c(Cl)cccc3Cl)c12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H14Cl2N2O3/c1-12-4-2-7-17-18(12)20(28-19-15(22)5-3-6-16(19)23)24-25(17)14-10-8-13(9-11-14)21(26)27/h2-11H,1H3,(H,26,27)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203544
PNG
(CHEMBL3928131)
Show SMILES Cc1cccc2n(nc(Oc3c(Cl)cccc3Cl)c12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H14Cl2N2O3/c1-12-4-2-7-17-18(12)20(28-19-15(22)5-3-6-16(19)23)24-25(17)14-10-8-13(9-11-14)21(26)27/h2-11H,1H3,(H,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203516
PNG
(CHEMBL3967961)
Show SMILES OC(=O)c1ccc(nc1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C19H11Cl2N3O3/c20-13-5-3-6-14(21)17(13)27-18-12-4-1-2-7-15(12)24(23-18)16-9-8-11(10-22-16)19(25)26/h1-10H,(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203490
PNG
(CHEMBL3905660)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CCC1
Show InChI InChI=1S/C24H17Cl2N3O3S/c25-18-3-1-4-19(26)21(18)33-22-17-13-15(23(30)28-11-2-12-28)7-10-20(17)29(27-22)16-8-5-14(6-9-16)24(31)32/h1,3-10,13H,2,11-12H2,(H,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203504
PNG
(CHEMBL3938404)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2cccnc12
Show InChI InChI=1S/C19H11Cl2N3O3/c20-14-4-1-5-15(21)16(14)27-18-13-3-2-10-22-17(13)24(23-18)12-8-6-11(7-9-12)19(25)26/h1-10H,(H,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203542
PNG
(CHEMBL3218921)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h1-11H,(H,27,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203508
PNG
(CHEMBL3968165)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H12Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203514
PNG
(CHEMBL3977144)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2cc(ccc12)C#N
Show InChI InChI=1S/C21H11Cl2N3O3/c22-16-2-1-3-17(23)19(16)29-20-15-10-12(11-24)4-9-18(15)26(25-20)14-7-5-13(6-8-14)21(27)28/h1-10H,(H,27,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203488
PNG
(CHEMBL3957141)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Cc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H14Cl2N2O2/c22-17-5-3-6-18(23)16(17)12-19-15-4-1-2-7-20(15)25(24-19)14-10-8-13(9-11-14)21(26)27/h1-11H,12H2,(H,26,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203516
PNG
(CHEMBL3967961)
Show SMILES OC(=O)c1ccc(nc1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C19H11Cl2N3O3/c20-13-5-3-6-14(21)17(13)27-18-12-4-1-2-7-15(12)24(23-18)16-9-8-11(10-22-16)19(25)26/h1-10H,(H,25,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203460
PNG
(CHEMBL3956929)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2ncccc12
Show InChI InChI=1S/C19H11Cl2N3O3/c20-13-3-1-4-14(21)17(13)27-18-16-15(5-2-10-22-16)24(23-18)12-8-6-11(7-9-12)19(25)26/h1-10H,(H,25,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203520
PNG
(CHEMBL3943864)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Nc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H13Cl2N3O2/c21-15-5-3-6-16(22)18(15)23-19-14-4-1-2-7-17(14)25(24-19)13-10-8-12(9-11-13)20(26)27/h1-11H,(H,23,24)(H,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203518
PNG
(CHEMBL3942787)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H12Cl2N2O2S/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203523
PNG
(CHEMBL3933686)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CCCC1
Show InChI InChI=1S/C25H19Cl2N3O3S/c26-19-4-3-5-20(27)22(19)34-23-18-14-16(24(31)29-12-1-2-13-29)8-11-21(18)30(28-23)17-9-6-15(7-10-17)25(32)33/h3-11,14H,1-2,12-13H2,(H,32,33)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203543
PNG
(CHEMBL3951385)
Show SMILES CNC(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H15Cl2N3O3S/c1-25-20(28)13-7-10-18-15(11-13)21(31-19-16(23)3-2-4-17(19)24)26-27(18)14-8-5-12(6-9-14)22(29)30/h2-11H,1H3,(H,25,28)(H,29,30)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203511
PNG
(CHEMBL3911834)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(C)cc(C)cc3C)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25N3O3S/c1-15-12-16(2)23(17(3)13-15)33-24-21-14-19(25(30)28(4)5)8-11-22(21)29(27-24)20-9-6-18(7-10-20)26(31)32/h6-14H,1-5H3,(H,31,32)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203509
PNG
(CHEMBL3948459)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3ccccc3)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H19N3O3S/c1-25(2)22(27)16-10-13-20-19(14-16)21(30-18-6-4-3-5-7-18)24-26(20)17-11-8-15(9-12-17)23(28)29/h3-14H,1-2H3,(H,28,29)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203515
PNG
(CHEMBL3920454)
Show SMILES Cc1cc(ccc1-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H14Cl2N2O3/c1-12-11-13(21(26)27)9-10-17(12)25-18-8-3-2-5-14(18)20(24-25)28-19-15(22)6-4-7-16(19)23/h2-11H,1H3,(H,26,27)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203507
PNG
(CHEMBL3915908)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Nc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H18Cl2N4O3/c1-28(2)22(30)14-8-11-19-16(12-14)21(26-20-17(24)4-3-5-18(20)25)27-29(19)15-9-6-13(7-10-15)23(31)32/h3-12H,1-2H3,(H,26,27)(H,31,32)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203504
PNG
(CHEMBL3938404)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2cccnc12
Show InChI InChI=1S/C19H11Cl2N3O3/c20-14-4-1-5-15(21)16(14)27-18-13-3-2-10-22-17(13)24(23-18)12-8-6-11(7-9-12)19(25)26/h1-10H,(H,25,26)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203490
PNG
(CHEMBL3905660)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CCC1
Show InChI InChI=1S/C24H17Cl2N3O3S/c25-18-3-1-4-19(26)21(18)33-22-17-13-15(23(30)28-11-2-12-28)7-10-20(17)29(27-22)16-8-5-14(6-9-16)24(31)32/h1,3-10,13H,2,11-12H2,(H,31,32)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203539
PNG
(CHEMBL3950318)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H19Cl2N3O4S/c26-19-2-1-3-20(27)22(19)35-23-18-14-16(24(31)29-10-12-34-13-11-29)6-9-21(18)30(28-23)17-7-4-15(5-8-17)25(32)33/h1-9,14H,10-13H2,(H,32,33)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203522
PNG
(CHEMBL3914641)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3cc(Cl)ccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-5-10-19-17(11-14)21(32-20-12-15(24)6-9-18(20)25)26-28(19)16-7-3-13(4-8-16)23(30)31/h3-12H,1-2H3,(H,30,31)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203518
PNG
(CHEMBL3942787)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H12Cl2N2O2S/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203499
PNG
(CHEMBL3947885)
Show SMILES CS(=O)(=O)c1ccc2n(nc(Oc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H14Cl2N2O5S/c1-31(28,29)14-9-10-18-15(11-14)20(30-19-16(22)3-2-4-17(19)23)24-25(18)13-7-5-12(6-8-13)21(26)27/h2-11H,1H3,(H,26,27)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203500
PNG
(CHEMBL3986751)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(c2ccccc12)S(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H12Cl2N2O4S/c21-15-5-3-6-16(22)18(15)29(27,28)19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203505
PNG
(CHEMBL3976477)
Show SMILES CCc1nn(C)c(CC)c1Oc1nn(-c2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H22N4O3/c1-4-17-20(18(5-2)25(3)23-17)29-21-16-8-6-7-9-19(16)26(24-21)15-12-10-14(11-13-15)22(27)28/h6-13H,4-5H2,1-3H3,(H,27,28)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203510
PNG
(CHEMBL3939711)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(F)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17ClFN3O3S/c1-27(2)22(29)14-8-11-19-16(12-14)21(32-20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203517
PNG
(CHEMBL3933815)
Show SMILES OC(=O)c1ccc(cc1)-n1nc([S+]([O-])c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H12Cl2N2O3S/c21-15-5-3-6-16(22)18(15)28(27)19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203503
PNG
(CHEMBL3982499)
Show SMILES Clc1cccc(Cl)c1Oc1n[nH]c2ccccc12
Show InChI InChI=1S/C13H8Cl2N2O/c14-9-5-3-6-10(15)12(9)18-13-8-4-1-2-7-11(8)16-17-13/h1-7H,(H,16,17)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203521
PNG
(CHEMBL3938989)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3cccc(Cl)c3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-8-11-18-16(12-14)21(32-19-5-3-4-17(24)20(19)25)26-28(18)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203539
PNG
(CHEMBL3950318)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H19Cl2N3O4S/c26-19-2-1-3-20(27)22(19)35-23-18-14-16(24(31)29-10-12-34-13-11-29)6-9-21(18)30(28-23)17-7-4-15(5-8-17)25(32)33/h1-9,14H,10-13H2,(H,32,33)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203515
PNG
(CHEMBL3920454)
Show SMILES Cc1cc(ccc1-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H14Cl2N2O3/c1-12-11-13(21(26)27)9-10-17(12)25-18-8-3-2-5-14(18)20(24-25)28-19-15(22)6-4-7-16(19)23/h2-11H,1H3,(H,26,27)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203517
PNG
(CHEMBL3933815)
Show SMILES OC(=O)c1ccc(cc1)-n1nc([S+]([O-])c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H12Cl2N2O3S/c21-15-5-3-6-16(22)18(15)28(27)19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203498
PNG
(CHEMBL3923672)
Show SMILES CCN(C)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H19Cl2N3O3S/c1-3-28(2)23(30)15-9-12-20-17(13-15)22(33-21-18(25)5-4-6-19(21)26)27-29(20)16-10-7-14(8-11-16)24(31)32/h4-13H,3H2,1-2H3,(H,31,32)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203460
PNG
(CHEMBL3956929)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2ncccc12
Show InChI InChI=1S/C19H11Cl2N3O3/c20-13-3-1-4-14(21)17(13)27-18-16-15(5-2-10-22-16)24(23-18)12-8-6-11(7-9-12)19(25)26/h1-10H,(H,25,26)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203488
PNG
(CHEMBL3957141)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Cc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H14Cl2N2O2/c22-17-5-3-6-18(23)16(17)12-19-15-4-1-2-7-20(15)25(24-19)14-10-8-13(9-11-14)21(26)27/h1-11H,12H2,(H,26,27)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203513
PNG
(CHEMBL3913238)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C20H11Cl2FN2O3/c21-14-4-2-5-15(22)18(14)28-19-13-3-1-6-16(23)17(13)25(24-19)12-9-7-11(8-10-12)20(26)27/h1-10H,(H,26,27)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203502
PNG
(CHEMBL3940207)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H22Cl2N4O3S/c1-30-11-13-31(14-12-30)25(33)17-7-10-22-19(15-17)24(36-23-20(27)3-2-4-21(23)28)29-32(22)18-8-5-16(6-9-18)26(34)35/h2-10,15H,11-14H2,1H3,(H,34,35)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203500
PNG
(CHEMBL3986751)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(c2ccccc12)S(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H12Cl2N2O4S/c21-15-5-3-6-16(22)18(15)29(27,28)19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203505
PNG
(CHEMBL3976477)
Show SMILES CCc1nn(C)c(CC)c1Oc1nn(-c2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H22N4O3/c1-4-17-20(18(5-2)25(3)23-17)29-21-16-8-6-7-9-19(16)26(24-21)15-12-10-14(11-13-15)22(27)28/h6-13H,4-5H2,1-3H3,(H,27,28)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203502
PNG
(CHEMBL3940207)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H22Cl2N4O3S/c1-30-11-13-31(14-12-30)25(33)17-7-10-22-19(15-17)24(36-23-20(27)3-2-4-21(23)28)29-32(22)18-8-5-16(6-9-18)26(34)35/h2-10,15H,11-14H2,1H3,(H,34,35)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203491
PNG
(CHEMBL3896717)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H21Cl2N3O3S/c1-33(17-18-6-3-2-4-7-18)28(35)20-12-15-25-22(16-20)27(38-26-23(30)8-5-9-24(26)31)32-34(25)21-13-10-19(11-14-21)29(36)37/h2-16H,17H2,1H3,(H,36,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203501
PNG
(CHEMBL3947182)
Show SMILES OC(=O)c1ccc(cn1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C19H11Cl2N3O3/c20-13-5-3-6-14(21)17(13)27-18-12-4-1-2-7-16(12)24(23-18)11-8-9-15(19(25)26)22-10-11/h1-10H,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203494
PNG
(CHEMBL3917164)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12 |r,wU:3.2,wD:6.9,(37.03,-35.92,;35.52,-36.23,;34.5,-35.07,;35.03,-37.68,;36.05,-38.84,;35.56,-40.3,;34.05,-40.6,;33.03,-39.45,;33.52,-37.99,;33.55,-42.06,;34.45,-43.32,;33.53,-44.55,;33.99,-46.02,;35.49,-46.36,;36.54,-45.23,;36.07,-43.76,;38.04,-45.57,;38.5,-47.03,;37.46,-48.16,;35.95,-47.83,;34.91,-48.96,;32.07,-44.07,;30.73,-44.82,;29.4,-44.04,;29.42,-42.5,;30.76,-41.74,;32.08,-42.53,)|
Show InChI InChI=1S/C20H18Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)/t12-,13-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203512
PNG
(CHEMBL3924764)
Show SMILES CN(CCO)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H19Cl2N3O4S/c1-28(11-12-30)23(31)15-7-10-20-17(13-15)22(34-21-18(25)3-2-4-19(21)26)27-29(20)16-8-5-14(6-9-16)24(32)33/h2-10,13,30H,11-12H2,1H3,(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203465
PNG
(CHEMBL3929358)
Show SMILES OC(=O)c1cc(F)c(c(F)c1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12 |(5.25,-19.06,;6.29,-20.19,;7.81,-19.94,;5.75,-21.64,;6.74,-22.82,;6.19,-24.27,;7.17,-25.45,;4.68,-24.52,;3.69,-23.34,;2.18,-23.59,;4.24,-21.89,;4.14,-25.97,;4.99,-27.25,;4.04,-28.45,;4.44,-29.94,;5.93,-30.32,;6.35,-31.81,;5.27,-32.91,;7.84,-32.19,;8.92,-31.09,;8.5,-29.61,;7.01,-29.22,;6.61,-27.74,;2.58,-27.92,;1.22,-28.63,;-.08,-27.81,;-.02,-26.27,;1.36,-25.56,;2.65,-26.38,)|
Show InChI InChI=1S/C20H10Cl2F2N2O3/c21-12-5-3-6-13(22)18(12)29-19-11-4-1-2-7-16(11)26(25-19)17-14(23)8-10(20(27)28)9-15(17)24/h1-9H,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203461
PNG
(CHEMBL3929988)
Show SMILES OC(=O)[C@H]1CC[C@H](CC1)n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12 |r,wU:3.2,6.9,(26.9,-35.1,;25.39,-35.4,;24.38,-34.25,;24.91,-36.86,;25.92,-38.02,;25.43,-39.47,;23.92,-39.78,;22.9,-38.63,;23.4,-37.16,;23.43,-41.24,;24.32,-42.49,;23.4,-43.73,;23.86,-45.2,;25.37,-45.54,;26.41,-44.4,;25.95,-42.93,;27.91,-44.74,;28.38,-46.21,;27.33,-47.34,;25.83,-47.01,;24.78,-48.14,;21.94,-43.24,;20.61,-44,;19.28,-43.22,;19.29,-41.68,;20.63,-40.92,;21.96,-41.7,)|
Show InChI InChI=1S/C20H18Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)/t12-,13+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50445877
PNG
(CHEMBL3105681)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203492
PNG
(CHEMBL3956564)
Show SMILES CN(C)C(=O)c1ccc2n(nc([S+]([O-])c3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O4S/c1-27(2)22(29)14-8-11-19-16(12-14)21(33(32)20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203540
PNG
(CHEMBL3922245)
Show SMILES Cc1cccc2c(Oc3c(Cl)cccc3Cl)nn(-c3ccc(cc3)C(O)=O)c12
Show InChI InChI=1S/C21H14Cl2N2O3/c1-12-4-2-5-15-18(12)25(14-10-8-13(9-11-14)21(26)27)24-20(15)28-19-16(22)6-3-7-17(19)23/h2-11H,1H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203522
PNG
(CHEMBL3914641)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3cc(Cl)ccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-5-10-19-17(11-14)21(32-20-12-15(24)6-9-18(20)25)26-28(19)16-7-3-13(4-8-16)23(30)31/h3-12H,1-2H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203501
PNG
(CHEMBL3947182)
Show SMILES OC(=O)c1ccc(cn1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C19H11Cl2N3O3/c20-13-5-3-6-14(21)17(13)27-18-12-4-1-2-7-16(12)24(23-18)11-8-9-15(19(25)26)22-10-11/h1-10H,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203511
PNG
(CHEMBL3911834)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(C)cc(C)cc3C)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25N3O3S/c1-15-12-16(2)23(17(3)13-15)33-24-21-14-19(25(30)28(4)5)8-11-22(21)29(27-24)20-9-6-18(7-10-20)26(31)32/h6-14H,1-5H3,(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203493
PNG
(CHEMBL3912204)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(C)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20ClN3O4/c1-14-5-4-6-19(25)21(14)32-22-18-13-16(23(29)27(2)3)9-12-20(18)28(26-22)17-10-7-15(8-11-17)24(30)31/h4-13H,1-3H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203519
PNG
(CHEMBL3972391)
Show SMILES CN(c1nn(-c2ccc(cc2)C(O)=O)c2ccccc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H15Cl2N3O2/c1-25(19-16(22)6-4-7-17(19)23)20-15-5-2-3-8-18(15)26(24-20)14-11-9-13(10-12-14)21(27)28/h2-12H,1H3,(H,27,28)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203521
PNG
(CHEMBL3938989)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3cccc(Cl)c3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-8-11-18-16(12-14)21(32-19-5-3-4-17(24)20(19)25)26-28(18)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203489
PNG
(CHEMBL3942648)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3ccc(Cl)cc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-5-9-19-17(11-14)21(32-20-10-6-15(24)12-18(20)25)26-28(19)16-7-3-13(4-8-16)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203499
PNG
(CHEMBL3947885)
Show SMILES CS(=O)(=O)c1ccc2n(nc(Oc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H14Cl2N2O5S/c1-31(28,29)14-9-10-18-15(11-14)20(30-19-16(22)3-2-4-17(19)23)24-25(18)13-7-5-12(6-8-13)21(26)27/h2-11H,1H3,(H,26,27)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203498
PNG
(CHEMBL3923672)
Show SMILES CCN(C)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H19Cl2N3O3S/c1-3-28(2)23(30)15-9-12-20-17(13-15)22(33-21-18(25)5-4-6-19(21)26)27-29(20)16-10-7-14(8-11-16)24(31)32/h4-13H,3H2,1-2H3,(H,31,32)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203463
PNG
(CHEMBL3979349)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C24H15Cl2F2N3O3S/c25-17-2-1-3-18(26)20(17)35-21-16-10-14(22(32)30-11-24(27,28)12-30)6-9-19(16)31(29-21)15-7-4-13(5-8-15)23(33)34/h1-10H,11-12H2,(H,33,34)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORalpha LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203497
PNG
(CHEMBL3924898)
Show SMILES CN(C)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17Cl2N3O4/c1-28(2)22(30)15-10-11-16-19(12-15)29(23(31)20-17(25)4-3-5-18(20)26)27-21(16)13-6-8-14(9-7-13)24(32)33/h3-12H,1-2H3,(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203545
PNG
(CHEMBL3938602)
Show SMILES CN(C)C(=O)c1ccc2n(nc(c2c1)S(=O)(=O)c1c(Cl)cccc1Cl)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O5S/c1-27(2)22(29)14-8-11-19-16(12-14)21(34(32,33)20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203546
PNG
(CHEMBL3920663)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(C)cccc3C)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H23N3O3S/c1-15-6-5-7-16(2)22(15)32-23-20-14-18(24(29)27(3)4)10-13-21(20)28(26-23)19-11-8-17(9-12-19)25(30)31/h5-14H,1-4H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203523
PNG
(CHEMBL3933686)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CCCC1
Show InChI InChI=1S/C25H19Cl2N3O3S/c26-19-4-3-5-20(27)22(19)34-23-18-14-16(24(31)29-12-1-2-13-29)8-11-21(18)30(28-23)17-9-6-15(7-10-17)25(32)33/h3-11,14H,1-2,12-13H2,(H,32,33)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203487
PNG
(CHEMBL3961289)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-8-11-19-16(12-14)21(32-20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203496
PNG
(CHEMBL3929577)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O4/c1-27(2)22(29)14-8-11-19-16(12-14)21(32-20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203509
PNG
(CHEMBL3948459)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3ccccc3)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H19N3O3S/c1-25(2)22(27)16-10-13-20-19(14-16)21(30-18-6-4-3-5-7-18)24-26(20)17-11-8-15(9-12-17)23(28)29/h3-14H,1-2H3,(H,28,29)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203489
PNG
(CHEMBL3942648)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3ccc(Cl)cc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-5-9-19-17(11-14)21(32-20-10-6-15(24)12-18(20)25)26-28(19)16-7-3-13(4-8-16)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203540
PNG
(CHEMBL3922245)
Show SMILES Cc1cccc2c(Oc3c(Cl)cccc3Cl)nn(-c3ccc(cc3)C(O)=O)c12
Show InChI InChI=1S/C21H14Cl2N2O3/c1-12-4-2-5-15-18(12)25(14-10-8-13(9-11-14)21(26)27)24-20(15)28-19-16(22)6-3-7-17(19)23/h2-11H,1H3,(H,26,27)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203464
PNG
(CHEMBL3983082)
Show SMILES CN(C)C(=O)c1ccc2c(Oc3c(Cl)cccc3Cl)nn(-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C23H17Cl2N3O4/c1-27(2)22(29)14-8-11-16-19(12-14)28(15-9-6-13(7-10-15)23(30)31)26-21(16)32-20-17(24)4-3-5-18(20)25/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203494
PNG
(CHEMBL3917164)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12 |r,wU:3.2,wD:6.9,(37.03,-35.92,;35.52,-36.23,;34.5,-35.07,;35.03,-37.68,;36.05,-38.84,;35.56,-40.3,;34.05,-40.6,;33.03,-39.45,;33.52,-37.99,;33.55,-42.06,;34.45,-43.32,;33.53,-44.55,;33.99,-46.02,;35.49,-46.36,;36.54,-45.23,;36.07,-43.76,;38.04,-45.57,;38.5,-47.03,;37.46,-48.16,;35.95,-47.83,;34.91,-48.96,;32.07,-44.07,;30.73,-44.82,;29.4,-44.04,;29.42,-42.5,;30.76,-41.74,;32.08,-42.53,)|
Show InChI InChI=1S/C20H18Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)/t12-,13-
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203495
PNG
(CHEMBL3911731)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3ccccc3C)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21N3O3S/c1-15-6-4-5-7-21(15)31-22-19-14-17(23(28)26(2)3)10-13-20(19)27(25-22)18-11-8-16(9-12-18)24(29)30/h4-14H,1-3H3,(H,29,30)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203491
PNG
(CHEMBL3896717)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H21Cl2N3O3S/c1-33(17-18-6-3-2-4-7-18)28(35)20-12-15-25-22(16-20)27(38-26-23(30)8-5-9-24(26)31)32-34(25)21-13-10-19(11-14-21)29(36)37/h2-16H,17H2,1H3,(H,36,37)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203512
PNG
(CHEMBL3924764)
Show SMILES CN(CCO)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H19Cl2N3O4S/c1-28(11-12-30)23(31)15-7-10-20-17(13-15)22(34-21-18(25)3-2-4-19(21)26)27-29(20)16-8-5-14(6-9-16)24(32)33/h2-10,13,30H,11-12H2,1H3,(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50203493
PNG
(CHEMBL3912204)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(C)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20ClN3O4/c1-14-5-4-6-19(25)21(14)32-22-18-13-16(23(29)27(2)3)9-12-20(18)28(26-22)17-10-7-15(8-11-17)24(30)31/h4-13H,1-3H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORalpha LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203545
PNG
(CHEMBL3938602)
Show SMILES CN(C)C(=O)c1ccc2n(nc(c2c1)S(=O)(=O)c1c(Cl)cccc1Cl)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O5S/c1-27(2)22(29)14-8-11-19-16(12-14)21(34(32,33)20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203543
PNG
(CHEMBL3951385)
Show SMILES CNC(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H15Cl2N3O3S/c1-25-20(28)13-7-10-18-15(11-13)21(31-19-16(23)3-2-4-17(19)24)26-27(18)14-8-5-12(6-9-14)22(29)30/h2-11H,1H3,(H,25,28)(H,29,30)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203503
PNG
(CHEMBL3982499)
Show SMILES Clc1cccc(Cl)c1Oc1n[nH]c2ccccc12
Show InChI InChI=1S/C13H8Cl2N2O/c14-9-5-3-6-10(15)12(9)18-13-8-4-1-2-7-11(8)16-17-13/h1-7H,(H,16,17)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203495
PNG
(CHEMBL3911731)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3ccccc3C)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21N3O3S/c1-15-6-4-5-7-21(15)31-22-19-14-17(23(28)26(2)3)10-13-20(19)27(25-22)18-11-8-16(9-12-18)24(29)30/h4-14H,1-3H3,(H,29,30)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203464
PNG
(CHEMBL3983082)
Show SMILES CN(C)C(=O)c1ccc2c(Oc3c(Cl)cccc3Cl)nn(-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C23H17Cl2N3O4/c1-27(2)22(29)14-8-11-16-19(12-14)28(15-9-6-13(7-10-15)23(30)31)26-21(16)32-20-17(24)4-3-5-18(20)25/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203461
PNG
(CHEMBL3929988)
Show SMILES OC(=O)[C@H]1CC[C@H](CC1)n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12 |r,wU:3.2,6.9,(26.9,-35.1,;25.39,-35.4,;24.38,-34.25,;24.91,-36.86,;25.92,-38.02,;25.43,-39.47,;23.92,-39.78,;22.9,-38.63,;23.4,-37.16,;23.43,-41.24,;24.32,-42.49,;23.4,-43.73,;23.86,-45.2,;25.37,-45.54,;26.41,-44.4,;25.95,-42.93,;27.91,-44.74,;28.38,-46.21,;27.33,-47.34,;25.83,-47.01,;24.78,-48.14,;21.94,-43.24,;20.61,-44,;19.28,-43.22,;19.29,-41.68,;20.63,-40.92,;21.96,-41.7,)|
Show InChI InChI=1S/C20H18Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)/t12-,13+
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203492
PNG
(CHEMBL3956564)
Show SMILES CN(C)C(=O)c1ccc2n(nc([S+]([O-])c3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O4S/c1-27(2)22(29)14-8-11-19-16(12-14)21(33(32)20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203510
PNG
(CHEMBL3939711)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(F)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17ClFN3O3S/c1-27(2)22(29)14-8-11-19-16(12-14)21(32-20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203514
PNG
(CHEMBL3977144)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2cc(ccc12)C#N
Show InChI InChI=1S/C21H11Cl2N3O3/c22-16-2-1-3-17(23)19(16)29-20-15-10-12(11-24)4-9-18(15)26(25-20)14-7-5-13(6-8-14)21(27)28/h1-10H,(H,27,28)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203520
PNG
(CHEMBL3943864)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(Nc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H13Cl2N3O2/c21-15-5-3-6-16(22)18(15)23-19-14-4-1-2-7-17(14)25(24-19)13-10-8-12(9-11-13)20(26)27/h1-11H,(H,23,24)(H,26,27)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203541
PNG
(CHEMBL3948265)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H11Cl2FN2O3/c21-13-5-3-6-14(22)18(13)28-19-12-4-1-2-7-16(12)25(24-19)17-9-8-11(20(26)27)10-15(17)23/h1-10H,(H,26,27)
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203506
PNG
(CHEMBL3977048)
Show SMILES Cc1noc(C)c1[C@H](O)c1cc2cc(CC(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3C)ccc2o1 |r|
Show InChI InChI=1S/C31H30N2O4/c1-18-10-12-25(19(2)14-18)30(23-8-6-5-7-9-23)32-28(34)16-22-11-13-26-24(15-22)17-27(36-26)31(35)29-20(3)33-37-21(29)4/h5-15,17,30-31,35H,16H2,1-4H3,(H,32,34)/t30-,31+/m0/s1
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Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50203507
PNG
(CHEMBL3915908)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Nc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H18Cl2N4O3/c1-28(2)22(30)14-8-11-19-16(12-14)21(26-20-17(24)4-3-5-18(20)25)27-29(19)15-9-6-13(7-10-15)23(31)32/h3-12H,1-2H3,(H,26,27)(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Activity at 24 hydroxylase-fused VDR in human HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Activity at GAL4 DBD-fused LXRbeta LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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n/an/an/a 4.00E+3n/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Activity at GAL4 DBD-fused PPARgamma LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%