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PubMed code 28318945

Compile data set for download or QSAR
Found 68 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))		BDBM50239059
PNG
(CHEMBL4059503)
Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3
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n/an/a 7.5n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239059
PNG
(CHEMBL4059503)
Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3
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n/an/a 7.5n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239056
PNG
(CHEMBL4062264)
Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C29H28ClN5O/c1-4-35(5-2)28-26(20-9-7-6-8-10-20)27(30)23-17-22(11-12-24(23)33-28)29(36,21-13-15-31-16-14-21)25-18-32-19-34(25)3/h6-19,36H,4-5H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239059
PNG
(CHEMBL4059503)
Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239062
PNG
(CHEMBL4088364)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C26H21ClN4O2/c1-31-16-29-15-22(31)26(32,18-10-12-28-13-11-18)19-8-9-21-20(14-19)24(27)23(25(30-21)33-2)17-6-4-3-5-7-17/h3-16,32H,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220250
PNG
(US9290476, 95)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H22Cl2F3N3O2/c1-37-16-35-15-25(37)28(38,18-7-10-21(30)11-8-18)20-9-12-24-22(14-20)26(31)23(27(36-24)39-2)13-17-3-5-19(6-4-17)29(32,33)34/h3-12,14-16,38H,13H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220220
PNG
(US9290476, 63A | US9290476, 63B | US9290476, 63C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C#N)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H22Cl2N4O2/c1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18/h3-12,14,16-17,36H,13H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239063
PNG
(CHEMBL4094197)
Show SMILES Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,17-9-11-28-12-10-17)18-7-8-20-19(13-18)23(26)22(24(27)30-20)16-5-3-2-4-6-16/h2-15,32H,1H3
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n/an/a 50n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239073
PNG
(CHEMBL4097986)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C29H23ClF3N5O/c1-37-17-34-16-24(37)28(39,20-9-11-23(35-15-20)29(31,32)33)19-8-10-22-21(14-19)26(30)25(18-6-3-2-4-7-18)27(36-22)38-12-5-13-38/h2-4,6-11,14-17,39H,5,12-13H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220219
PNG
(US9290476, 62A | US9290476, 62B | US9290476, 62C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C29H21ClF6N4O2/c1-40-15-37-14-24(40)27(41,19-8-10-23(38-13-19)29(34,35)36)18-7-9-22-20(12-18)25(30)21(26(39-22)42-2)11-16-3-5-17(6-4-16)28(31,32)33/h3-10,12-15,41H,11H2,1-2H3
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n/an/a 53n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220192
PNG
(US9290476, 35A | US9290476, 35B | US9290476, 35C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3
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n/an/a 57n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220250
PNG
(US9290476, 95)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H22Cl2F3N3O2/c1-37-16-35-15-25(37)28(38,18-7-10-21(30)11-8-18)20-9-12-24-22(14-20)26(31)23(27(36-24)39-2)13-17-3-5-19(6-4-17)29(32,33)34/h3-12,14-16,38H,13H2,1-2H3
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n/an/a 62n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220190
PNG
(US9290476, 33A | US9290476, 33B | US9290476, 33C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220190
PNG
(US9290476, 33A | US9290476, 33B | US9290476, 33C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3
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n/an/a 85n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220192
PNG
(US9290476, 35A | US9290476, 35B | US9290476, 35C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3
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n/an/a 89n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity by the inhibition of Glutamine synthetase (Ovine brain) activity using biosynthetic assay [competitive in...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239066
PNG
(CHEMBL4063937)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C27H18Cl2N4O/c1-33-16-31-15-24(33)27(34,18-7-10-20(28)11-8-18)19-9-12-22-21(13-19)26(29)25(23(14-30)32-22)17-5-3-2-4-6-17/h2-13,15-16,34H,1H3
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n/an/a 110n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239064
PNG
(CHEMBL4073568)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(c(-c3ccccc3)c(c2c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H18ClF6N3O/c1-38-15-36-14-22(38)26(39,17-7-10-19(29)11-8-17)18-9-12-21-20(13-18)24(27(30,31)32)23(16-5-3-2-4-6-16)25(37-21)28(33,34)35/h2-15,39H,1H3
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n/an/a 110n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239058
PNG
(CHEMBL4100439)
Show SMILES CN(C)c1c(c(Cl)nc2ccc(cc12)C(O)(c1cncn1C)c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C27H24ClN5O/c1-32(2)25-21-15-20(9-10-22(21)31-26(28)24(25)18-7-5-4-6-8-18)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239071
PNG
(CHEMBL4101932)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(c(-c3ccccc3)c(Cl)c2c1)C(F)(F)F
Show InChI InChI=1S/C27H18Cl2F3N3O/c1-35-15-33-14-22(35)26(36,17-7-10-19(28)11-8-17)18-9-12-21-20(13-18)24(29)23(16-5-3-2-4-6-16)25(34-21)27(30,31)32/h2-15,36H,1H3
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n/an/a 120n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220219
PNG
(US9290476, 62A | US9290476, 62B | US9290476, 62C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C29H21ClF6N4O2/c1-40-15-37-14-24(40)27(41,19-8-10-23(38-13-19)29(34,35)36)18-7-9-22-20(12-18)25(30)21(26(39-22)42-2)11-16-3-5-17(6-4-16)28(31,32)33/h3-10,12-15,41H,11H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220220
PNG
(US9290476, 63A | US9290476, 63B | US9290476, 63C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C#N)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H22Cl2N4O2/c1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18/h3-12,14,16-17,36H,13H2,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239060
PNG
(CHEMBL4070889)
Show SMILES COc1c(-c2ccccc2)c(nc2ccc(cc12)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H20F6N4O2/c1-38-15-35-14-22(38)26(39,18-9-11-21(36-13-18)27(29,30)31)17-8-10-20-19(12-17)24(40-2)23(16-6-4-3-5-7-16)25(37-20)28(32,33)34/h3-15,39H,1-2H3
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n/an/a 190n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239067
PNG
(CHEMBL4072529)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl2N3O2/c1-32-16-30-15-23(32)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(31-22)34-2)17-6-4-3-5-7-17/h3-16,33H,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239065
PNG
(CHEMBL4083942)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(C#N)c2c1
Show InChI InChI=1S/C28H18ClN5O/c1-34-17-32-16-26(34)28(35,19-7-10-21(29)11-8-19)20-9-12-24-22(13-20)23(14-30)27(25(15-31)33-24)18-5-3-2-4-6-18/h2-13,16-17,35H,1H3
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n/an/a 240n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239053
PNG
(CHEMBL4071285)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C26H18Cl3N3O/c1-32-15-30-14-22(32)26(33,17-7-10-19(27)11-8-17)18-9-12-21-20(13-18)24(28)23(25(29)31-21)16-5-3-2-4-6-16/h2-15,33H,1H3
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n/an/a 260n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239051
PNG
(CHEMBL4097051)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1cnc(nc1)C#N)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H17ClF3N7O2/c1-37-13-32-12-20(37)25(38,16-4-6-19(33-11-16)26(28,29)30)15-3-5-18-17(7-15)23(27)22(24(36-18)39-2)14-9-34-21(8-31)35-10-14/h3-7,9-13,38H,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239054
PNG
(CHEMBL4098583)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H22Cl2FN3O2/c1-34-16-32-15-25(34)28(35,18-5-8-20(29)9-6-18)19-7-12-24-22(14-19)26(30)23(27(33-24)36-2)13-17-3-10-21(31)11-4-17/h3-12,14-16,35H,13H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239057
PNG
(CHEMBL4090273)
Show SMILES CN(CCO)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C28H26ClN5O2/c1-33(14-15-35)27-25(19-6-4-3-5-7-19)26(29)22-16-21(8-9-23(22)32-27)28(36,20-10-12-30-13-11-20)24-17-31-18-34(24)2/h3-13,16-18,35-36H,14-15H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239072
PNG
(CHEMBL4091706)
Show SMILES COc1nc2ccc(cc2c(OC)c1-c1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24ClN3O3/c1-32-17-30-16-24(32)28(33,19-9-12-21(29)13-10-19)20-11-14-23-22(15-20)26(34-2)25(27(31-23)35-3)18-7-5-4-6-8-18/h4-17,33H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239068
PNG
(CHEMBL4099447)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2ncc(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C26H19Cl2N3O/c1-31-16-29-15-24(31)26(32,18-7-10-20(27)11-8-18)19-9-12-23-21(13-19)25(28)22(14-30-23)17-5-3-2-4-6-17/h2-16,32H,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239055
PNG
(CHEMBL4101047)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H21ClF4N4O2/c1-37-15-34-14-24(37)27(38,18-6-10-23(35-13-18)28(31,32)33)17-5-9-22-20(12-17)25(29)21(26(36-22)39-2)11-16-3-7-19(30)8-4-16/h3-10,12-15,38H,11H2,1-2H3
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n/an/a 2.74E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239052
PNG
(CHEMBL4098325)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(cc2c1)-c1ccccc1
Show InChI InChI=1S/C26H19Cl2N3O/c1-31-16-29-15-24(31)26(32,19-7-10-21(27)11-8-19)20-9-12-23-18(13-20)14-22(25(28)30-23)17-5-3-2-4-6-17/h2-16,32H,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239061
PNG
(CHEMBL4083071)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H22ClF3N4O2/c1-36-16-33-15-24(36)27(37,19-9-11-23(34-14-19)28(30,31)32)18-8-10-22-20(13-18)25(29)21(26(35-22)38-2)12-17-6-4-3-5-7-17/h3-11,13-16,37H,12H2,1-2H3
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n/an/a>6.00E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239055
PNG
(CHEMBL4101047)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H21ClF4N4O2/c1-37-15-34-14-24(37)27(38,18-6-10-23(35-13-18)28(31,32)33)17-5-9-22-20(12-17)25(29)21(26(36-22)39-2)11-16-3-7-19(30)8-4-16/h3-10,12-15,38H,11H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239054
PNG
(CHEMBL4098583)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H22Cl2FN3O2/c1-34-16-32-15-25(34)28(35,18-5-8-20(29)9-6-18)19-7-12-24-22(14-19)26(30)23(27(33-24)36-2)13-17-3-10-21(31)11-4-17/h3-12,14-16,35H,13H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239070
PNG
(CHEMBL4082428)
Show SMILES CNc1c(c(Cl)nc2ccc(cc12)C(O)(c1cncn1C)c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C26H22ClN5O/c1-28-24-20-14-19(8-9-21(20)31-25(27)23(24)17-6-4-3-5-7-17)26(33,18-10-12-29-13-11-18)22-15-30-16-32(22)2/h3-16,33H,1-2H3,(H,28,31)
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n/an/a>6.00E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239069
PNG
(CHEMBL4079036)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccc(cc1)S(C)(=O)=O)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H22ClF3N4O4S/c1-36-15-33-14-23(36)27(37,18-7-11-22(34-13-18)28(30,31)32)17-6-10-21-20(12-17)25(29)24(26(35-21)40-2)16-4-8-19(9-5-16)41(3,38)39/h4-15,37H,1-3H3
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n/an/an/a 37n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239059
PNG
(CHEMBL4059503)
Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3
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n/an/an/a 290n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239058
PNG
(CHEMBL4100439)
Show SMILES CN(C)c1c(c(Cl)nc2ccc(cc12)C(O)(c1cncn1C)c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C27H24ClN5O/c1-32(2)25-21-15-20(9-10-22(21)31-26(28)24(25)18-7-5-4-6-8-18)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3
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n/an/an/a 23n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239057
PNG
(CHEMBL4090273)
Show SMILES CN(CCO)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C28H26ClN5O2/c1-33(14-15-35)27-25(19-6-4-3-5-7-19)26(29)22-16-21(8-9-23(22)32-27)28(36,20-10-12-30-13-11-20)24-17-31-18-34(24)2/h3-13,16-18,35-36H,14-15H2,1-2H3
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n/an/an/a 1.50E+4n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radioligand

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220219
PNG
(US9290476, 62A | US9290476, 62B | US9290476, 62C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C29H21ClF6N4O2/c1-40-15-37-14-24(40)27(41,19-8-10-23(38-13-19)29(34,35)36)18-7-9-22-20(12-18)25(30)21(26(39-22)42-2)11-16-3-5-17(6-4-16)28(31,32)33/h3-10,12-15,41H,11H2,1-2H3
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n/an/an/a 1.5n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239051
PNG
(CHEMBL4097051)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1cnc(nc1)C#N)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H17ClF3N7O2/c1-37-13-32-12-20(37)25(38,16-4-6-19(33-11-16)26(28,29)30)15-3-5-18-17(7-15)23(27)22(24(36-18)39-2)14-9-34-21(8-31)35-10-14/h3-7,9-13,38H,1-2H3
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n/an/an/a 32n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220190
PNG
(US9290476, 33A | US9290476, 33B | US9290476, 33C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3
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n/an/an/a 9.20n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239064
PNG
(CHEMBL4073568)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(c(-c3ccccc3)c(c2c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H18ClF6N3O/c1-38-15-36-14-22(38)26(39,17-7-10-19(29)11-8-17)18-9-12-21-20(13-18)24(27(30,31)32)23(16-5-3-2-4-6-16)25(37-21)28(33,34)35/h2-15,39H,1H3
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n/an/an/a 9.5n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239069
PNG
(CHEMBL4079036)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccc(cc1)S(C)(=O)=O)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H22ClF3N4O4S/c1-36-15-33-14-23(36)27(37,18-7-11-22(34-13-18)28(30,31)32)17-6-10-21-20(12-17)25(29)24(26(35-21)40-2)16-4-8-19(9-5-16)41(3,38)39/h4-15,37H,1-3H3
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n/an/an/an/a 49n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Transactivation of GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by Dual...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239059
PNG
(CHEMBL4059503)
Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3
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n/an/an/a 290n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239054
PNG
(CHEMBL4098583)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H22Cl2FN3O2/c1-34-16-32-15-25(34)28(35,18-5-8-20(29)9-6-18)19-7-12-24-22(14-19)26(30)23(27(33-24)36-2)13-17-3-10-21(31)11-4-17/h3-12,14-16,35H,13H2,1-2H3
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n/an/an/a 12n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239055
PNG
(CHEMBL4101047)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H21ClF4N4O2/c1-37-15-34-14-24(37)27(38,18-6-10-23(35-13-18)28(31,32)33)17-5-9-22-20(12-17)25(29)21(26(36-22)39-2)11-16-3-7-19(30)8-4-16/h3-10,12-15,38H,11H2,1-2H3
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n/an/an/a 6.60n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239063
PNG
(CHEMBL4094197)
Show SMILES Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,17-9-11-28-12-10-17)18-7-8-20-19(13-18)23(26)22(24(27)30-20)16-5-3-2-4-6-16/h2-15,32H,1H3
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n/an/an/a 14n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239059
PNG
(CHEMBL4059503)
Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3
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n/an/an/a 290n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239060
PNG
(CHEMBL4070889)
Show SMILES COc1c(-c2ccccc2)c(nc2ccc(cc12)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H20F6N4O2/c1-38-15-35-14-22(38)26(39,18-9-11-21(36-13-18)27(29,30)31)17-8-10-20-19(12-17)24(40-2)23(16-6-4-3-5-7-16)25(37-20)28(32,33)34/h3-15,39H,1-2H3
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n/an/an/a 15n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220220
PNG
(US9290476, 63A | US9290476, 63B | US9290476, 63C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C#N)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H22Cl2N4O2/c1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18/h3-12,14,16-17,36H,13H2,1-2H3
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n/an/an/a 6.20n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radioligand

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239070
PNG
(CHEMBL4082428)
Show SMILES CNc1c(c(Cl)nc2ccc(cc12)C(O)(c1cncn1C)c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C26H22ClN5O/c1-28-24-20-14-19(8-9-21(20)31-25(27)23(24)17-6-4-3-5-7-17)26(33,18-10-12-29-13-11-18)22-15-30-16-32(22)2/h3-16,33H,1-2H3,(H,28,31)
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n/an/an/a 9.50E+3n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239071
PNG
(CHEMBL4101932)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(c(-c3ccccc3)c(Cl)c2c1)C(F)(F)F
Show InChI InChI=1S/C27H18Cl2F3N3O/c1-35-15-33-14-22(35)26(36,17-7-10-19(28)11-8-17)18-9-12-21-20(13-18)24(29)23(16-5-3-2-4-6-16)25(34-21)27(30,31)32/h2-15,36H,1H3
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n/an/an/a 57n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239056
PNG
(CHEMBL4062264)
Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C29H28ClN5O/c1-4-35(5-2)28-26(20-9-7-6-8-10-20)27(30)23-17-22(11-12-24(23)33-28)29(36,21-13-15-31-16-14-21)25-18-32-19-34(25)3/h6-19,36H,4-5H2,1-3H3
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n/an/an/a 2n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239065
PNG
(CHEMBL4083942)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(C#N)c2c1
Show InChI InChI=1S/C28H18ClN5O/c1-34-17-32-16-26(34)28(35,19-7-10-21(29)11-8-19)20-9-12-24-22(13-20)23(14-30)27(25(15-31)33-24)18-5-3-2-4-6-18/h2-13,16-17,35H,1H3
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n/an/an/a 55n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239072
PNG
(CHEMBL4091706)
Show SMILES COc1nc2ccc(cc2c(OC)c1-c1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24ClN3O3/c1-32-17-30-16-24(32)28(33,19-9-12-21(29)13-10-19)20-11-14-23-22(15-20)26(34-2)25(27(31-23)35-3)18-7-5-4-6-8-18/h4-17,33H,1-3H3
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n/an/an/a 570n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239067
PNG
(CHEMBL4072529)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl2N3O2/c1-32-16-30-15-23(32)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(31-22)34-2)17-6-4-3-5-7-17/h3-16,33H,1-2H3
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n/an/an/a 100n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239061
PNG
(CHEMBL4083071)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H22ClF3N4O2/c1-36-16-33-15-24(36)27(37,19-9-11-23(34-14-19)28(30,31)32)18-8-10-22-20(13-18)25(29)21(26(35-22)38-2)12-17-6-4-3-5-7-17/h3-11,13-16,37H,12H2,1-2H3
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n/an/an/a 20n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239068
PNG
(CHEMBL4099447)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2ncc(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C26H19Cl2N3O/c1-31-16-29-15-24(31)26(32,18-7-10-20(27)11-8-18)19-9-12-23-21(13-19)25(28)22(14-30-23)17-5-3-2-4-6-17/h2-16,32H,1H3
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n/an/an/a 4.30E+3n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239066
PNG
(CHEMBL4063937)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C27H18Cl2N4O/c1-33-16-31-15-24(33)27(34,18-7-10-20(28)11-8-18)19-9-12-22-21(13-19)26(29)25(23(14-30)32-22)17-5-3-2-4-6-17/h2-13,15-16,34H,1H3
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n/an/an/a 51n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239073
PNG
(CHEMBL4097986)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C29H23ClF3N5O/c1-37-17-34-16-24(37)28(39,20-9-11-23(35-15-20)29(31,32)33)19-8-10-22-21(14-19)26(30)25(18-6-3-2-4-7-18)27(36-22)38-12-5-13-38/h2-4,6-11,14-17,39H,5,12-13H2,1H3
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n/an/an/a 6n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220192
PNG
(US9290476, 35A | US9290476, 35B | US9290476, 35C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3
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n/an/an/a 5n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM220250
PNG
(US9290476, 95)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H22Cl2F3N3O2/c1-37-16-35-15-25(37)28(38,18-7-10-21(30)11-8-18)20-9-12-24-22(14-20)26(31)23(27(36-24)39-2)13-17-3-5-19(6-4-17)29(32,33)34/h3-12,14-16,38H,13H2,1-2H3
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n/an/an/a 7.70n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radioligand

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239053
PNG
(CHEMBL4071285)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C26H18Cl3N3O/c1-32-15-30-14-22(32)26(33,17-7-10-19(27)11-8-17)18-9-12-21-20(13-18)24(28)23(25(29)31-21)16-5-3-2-4-6-16/h2-15,33H,1H3
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n/an/an/a 160n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239052
PNG
(CHEMBL4098325)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(cc2c1)-c1ccccc1
Show InChI InChI=1S/C26H19Cl2N3O/c1-31-16-29-15-24(31)26(32,19-7-10-21(27)11-8-19)20-9-12-23-18(13-20)14-22(25(28)30-23)17-5-3-2-4-6-17/h2-16,32H,1H3
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n/an/an/a 1.00E+4n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239069
PNG
(CHEMBL4079036)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccc(cc1)S(C)(=O)=O)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H22ClF3N4O4S/c1-36-15-33-14-23(36)27(37,18-7-11-22(34-13-18)28(30,31)32)17-6-10-21-20(12-17)25(29)24(26(35-21)40-2)16-4-8-19(9-5-16)41(3,38)39/h4-15,37H,1-3H3
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n/an/an/an/a 240n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Transactivation of RORgammat in human Th17 cells assessed as increase in IL17A production

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50239062
PNG
(CHEMBL4088364)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1
Show InChI InChI=1S/C26H21ClN4O2/c1-31-16-29-15-22(31)26(32,18-10-12-28-13-11-18)19-8-9-21-20(14-19)24(27)23(25(30-21)33-2)17-6-4-3-5-7-17/h3-16,32H,1-2H3
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n/an/an/a 5n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...

Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%