BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12196 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma'   
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 (RORC)


(Homo sapiens (Human))
BDBM310685
PNG
((S)-5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hy...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)c1noc(=O)[nH]1
Show InChI InChI=1/C26H25Cl2F6N5O5S/c1-11-6-4-5-9-39(11)20(41)16-17(45-19(36-16)18(40)35-10-23(2,3)21-37-22(42)44-38-21)12-7-8-13(15(28)14(12)27)24(43,25(29,30)31)26(32,33)34/h7-8,11,43H,4-6,9-10H2,1-3H3,(H,35,40)(H,37,38,42)/t11-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.00900n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220248
PNG
(US9290476, 93)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C29H27ClF3N5O2/c1-16-34-14-24(37(16)3)28(39,25-15-35-17(2)38(25)4)20-10-11-23-21(13-20)26(30)22(27(36-23)40-5)12-18-6-8-19(9-7-18)29(31,32)33/h6-11,13-15,39H,12H2,1-5H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.0170n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285803
PNG
(US10080744, Example 12/2)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CC(F)(F)C[C@@H]2C)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C26H28Cl2F5N5O5S2/c1-5-17(26(31,32)33)37-45(40,41)16-7-6-14(19(27)20(16)28)21-15(10-38-11-25(29,30)8-13(38)2)34-23(44-21)22-35-18(43-36-22)9-24(3,4)42-12-39/h6-7,12-13,17,37H,5,8-11H2,1-4H3/t13-,17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0190n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285774
PNG
(US10080744, Example 3/41)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(F)c1C(F)F)C(F)(F)F
Show InChI InChI=1/C27H30F6N4O5S2/c1-4-17(27(31,32)33)37-44(40,41)16-10-9-14(20(28)19(16)22(29)30)21-15(11-13-7-5-6-8-13)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13,17,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0200n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM339236
PNG
(US10201546, Example 117c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cnnn1C)c1cc(C)nc(C)c1
Show InChI InChI=1/C28H30ClF3N6O2/c1-16-11-20(12-17(2)34-16)27(39,24-14-33-36-37(24)3)19-5-6-23-21(13-19)25(29)22(26(35-23)40-4)15-38-9-7-18(8-10-38)28(30,31)32/h5-6,11-14,18,39H,7-10,15H2,1-4H3/t27-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0200n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285753
PNG
(US10080744, Example 3/20)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)OC=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1/C30H33F3N4O5S2/c1-18(30(31,32)33)37-44(39,40)24-14-13-22(20-11-7-8-12-21(20)24)26-23(15-19-9-5-4-6-10-19)34-28(43-26)27-36-35-25(42-27)16-29(2,3)41-17-38/h7-8,11-14,17-19,37H,4-6,9-10,15-16H2,1-3H3/t18-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0200n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50058935
PNG
(CHEMBL3358455 | US9290476, 79C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1/C27H23ClF3N5O2S/c1-14-24(39-15(2)33-14)26(37,22-13-32-35-36(22)3)18-9-10-21-19(12-18)23(28)20(25(34-21)38-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-13,37H,11H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.0240n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human wild type RORgammat ligand binding domain expressed in Escherichia coli by thermofluor assay


ACS Med Chem Lett 5: 844-5 (2014)


Article DOI: 10.1021/ml500219t
BindingDB Entry DOI: 10.7270/Q27946BC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285800
PNG
(US10080744, Example 11/11)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1Cl)C(F)(F)F
Show InChI InChI=1/C25H26ClF5N4O5S2/c1-11(25(29,30)31)35-42(38,39)15-8-7-13(17(18(15)26)20(27)28)19-14(9-12-5-4-6-12)32-22(41-19)21-33-16(40-34-21)10-24(2,3)23(36)37/h7-8,11-12,20,35H,4-6,9-10H2,1-3H3,(H,36,37)/t11-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0240n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50058935
PNG
(CHEMBL3358455 | US9290476, 79C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1/C27H23ClF3N5O2S/c1-14-24(39-15(2)33-14)26(37,22-13-32-35-36(22)3)18-9-10-21-19(12-18)23(28)20(25(34-21)38-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-13,37H,11H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/a 0.0240n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285759
PNG
(US10080744, Example 3/26)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1/C28H32F6N4O5S2/c1-4-18(28(32,33)34)38-45(41,42)17-11-10-15(20(21(17)29)23(30)31)22-16(12-14-8-6-5-7-9-14)35-25(44-22)24-37-36-19(43-24)13-27(2,3)26(39)40/h10-11,14,18,23,38H,4-9,12-13H2,1-3H3,(H,39,40)/t18-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0250n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220235
PNG
(US9290476, 80A | US9290476, 80B | US9290476, 80C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C27H24ClF3N6O2/c1-15-32-13-22(36(15)2)26(38,23-14-33-35-37(23)3)18-9-10-21-19(12-18)24(28)20(25(34-21)39-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-14,38H,11H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.0260n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285773
PNG
(US10080744, Example 3/40)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1Cl)C(F)(F)F
Show InChI InChI=1/C26H28ClF5N4O5S2/c1-12(26(30,31)32)36-43(39,40)16-9-8-14(18(19(16)27)21(28)29)20-15(10-13-6-4-5-7-13)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12-13,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t12-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0300n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285757
PNG
(US10080744, Example 3/24)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1/C27H30F6N4O5S2/c1-13(27(31,32)33)37-44(40,41)17-10-9-15(19(20(17)28)22(29)30)21-16(11-14-7-5-4-6-8-14)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13-14,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t13-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0360n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285771
PNG
(US10080744, Example 3/38)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1/C27H30F6N4O5S2/c1-4-17(27(31,32)33)37-44(40,41)16-10-9-14(19(20(16)28)22(29)30)21-15(11-13-7-5-6-8-13)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13,17,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0380n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285779
PNG
(US10080744, Example 4/2)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1/C29H29F5N4O5S2/c1-4-21(29(32,33)34)38-45(41,42)20-10-9-18(16-7-5-6-8-17(16)20)23-19(11-15-12-28(30,31)13-15)35-25(44-23)24-37-36-22(43-24)14-27(2,3)26(39)40/h5-10,15,21,38H,4,11-14H2,1-3H3,(H,39,40)/t21-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0400n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220342
PNG
(US9290476, 88B | US9290476, 88C)
Show SMILES Cc1ccc(c(C)n1)C(O)(c1cnnn1C)c1ccc2nc(C#N)c(Cc3ccc(cc3)C(F)(F)F)c(C#N)c2c1
Show InChI InChI=1/C30H22F3N7O/c1-17-4-10-25(18(2)37-17)29(41,28-16-36-39-40(28)3)21-9-11-26-23(13-21)24(14-34)22(27(15-35)38-26)12-19-5-7-20(8-6-19)30(31,32)33/h4-11,13,16,41H,12H2,1-3H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.0400n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285765
PNG
(US10080744, Example 3/32)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1/C28H25F7N4O5S2/c1-4-18(28(33,34)35)39-46(42,43)17-10-9-15(20(21(17)30)23(31)32)22-16(11-13-5-7-14(29)8-6-13)36-25(45-22)24-38-37-19(44-24)12-27(2,3)26(40)41/h5-10,18,23,39H,4,11-12H2,1-3H3,(H,40,41)/t18-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0440n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285756
PNG
(US10080744, Example 3/23)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccncc12)C(F)(F)F
Show InChI InChI=1/C30H34F3N5O5S2/c1-4-23(30(31,32)33)38-45(41,42)22-11-10-19(18-12-13-34-16-20(18)22)25-21(14-17-8-6-5-7-9-17)35-27(44-25)26-37-36-24(43-26)15-29(2,3)28(39)40/h10-13,16-17,23,38H,4-9,14-15H2,1-3H3,(H,39,40)/t23-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0450n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220236
PNG
(US9290476, 81A | US9290476, 81B | US9290476, 81C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C28H24F3N7O2/c1-16-33-14-24(37(16)2)27(39,25-15-34-36-38(25)3)19-9-10-23-20(12-19)22(13-32)21(26(35-23)40-4)11-17-5-7-18(8-6-17)28(29,30)31/h5-10,12,14-15,39H,11H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.0500n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285802
PNG
(US10080744, Example 12/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C26H28Cl2F5N5O5S2/c1-4-17(26(31,32)33)37-45(40,41)16-7-6-14(19(27)20(16)28)21-15(11-38-9-5-8-25(29,30)12-38)34-23(44-21)22-35-18(43-36-22)10-24(2,3)42-13-39/h6-7,13,17,37H,4-5,8-12H2,1-3H3/t17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0500n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50044179
PNG
(CHEMBL3314002 | US10301272, Example 7/4)
Show SMILES CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1C
Show InChI InChI=1/C28H38ClN3O5S2/c1-5-28(3,4)32-39(36,37)22-12-11-20(23(29)16(22)2)24-21(13-17-9-7-6-8-10-17)31-26(38-24)25(33)30-19-14-18(15-19)27(34)35/h11-12,17-19,32H,5-10,13-15H2,1-4H3,(H,30,33)(H,34,35)/t18-,19-
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 0.0500n/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...


Bioorg Med Chem Lett 28: 1446-1455 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285736
PNG
(US10080744, Example 3/4)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C25H27Cl2F3N4O5S2/c1-4-16(25(28,29)30)34-41(37,38)15-9-8-13(18(26)19(15)27)20-14(10-12-6-5-7-12)31-22(40-20)21-33-32-17(39-21)11-24(2,3)23(35)36/h8-9,12,16,34H,4-7,10-11H2,1-3H3,(H,35,36)/t16-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0500n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285758
PNG
(US10080744, Example 3/25 | US10080744, Example 4/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0580n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285793
PNG
(US10080744, Example 11/4)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1/C27H30F6N4O6S2/c1-15(26(28,29)30)37-45(39,40)17-9-10-18(20(12-17)42-27(31,32)33)22-19(11-16-7-5-4-6-8-16)34-24(44-22)23-35-21(43-36-23)13-25(2,3)41-14-38/h9-10,12,14-16,37H,4-8,11,13H2,1-3H3/t15-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0600n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310674
PNG
((S)-5-(2-(Difluoromethyl)-4-(1,1,1,3,3,3-hexafluor...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1/C25H27F8N3O4S/c1-12-6-4-5-9-36(12)21(38)16-17(41-20(35-16)19(37)34-11-22(2,3)39)14-8-7-13(10-15(14)18(26)27)23(40,24(28,29)30)25(31,32)33/h7-8,10,12,18,39-40H,4-6,9,11H2,1-3H3,(H,34,37)/t12-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0600n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM339377
PNG
(US10201546, Example 220)
Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1OCC(F)(F)F)C(O)(c1cnc(C)n1C)c1c(C)nn(C)c1C
Show InChI InChI=1/C25H27ClF3N5O3/c1-12-8-16(9-17-20(26)22(37-11-24(27,28)29)23(36-7)31-21(12)17)25(35,18-10-30-15(4)33(18)5)19-13(2)32-34(6)14(19)3/h8-10,35H,11H2,1-7H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0600n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285804
PNG
(US10080744, Example 12/3)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CC(F)(F)C[C@@H]2C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1/C27H29F8N5O5S2/c1-5-16(27(33,34)35)39-47(43,44)15-7-6-13(18(19(15)28)21(29)30)20-14(10-40-11-26(31,32)8-12(40)2)36-23(46-20)22-37-17(45-38-22)9-25(3,4)24(41)42/h6-7,12,16,21,39H,5,8-11H2,1-4H3,(H,41,42)/t12-,16-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0630n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285766
PNG
(US10080744, Example 3/33)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C26H22Cl2F4N4O5S2/c1-12(26(30,31)32)36-43(39,40)17-9-8-15(19(27)20(17)28)21-16(10-13-4-6-14(29)7-5-13)33-23(42-21)22-35-34-18(41-22)11-25(2,3)24(37)38/h4-9,12,36H,10-11H2,1-3H3,(H,37,38)/t12-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0700n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310652
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1OC(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1/C25H22F11N3O6S/c1-10-6-21(26,27)9-39(10)19(42)16-17(46-18(37-16)20(43)38-7-12(40)5-13(41)8-38)14-3-2-11(4-15(14)45-25(34,35)36)22(44,23(28,29)30)24(31,32)33/h2-4,10,12-13,40-41,44H,5-9H2,1H3/t10-,12-,13+/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0700n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM392136
PNG
(US10301272, Example 14/6)
Show SMILES CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C31H39N3O5S2/c1-4-31(2,3)34-41(38,39)26-15-14-24(22-12-8-9-13-23(22)26)27-25(16-19-10-6-5-7-11-19)33-29(40-27)28(35)32-21-17-20(18-21)30(36)37/h8-9,12-15,19-21,34H,4-7,10-11,16-18H2,1-3H3,(H,32,35)(H,36,37)/t20-,21-
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.0770n/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...


Bioorg Med Chem Lett 28: 1446-1455 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285792
PNG
(US10080744, Example 11/3)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c2cnccc12)C(F)(F)F
Show InChI InChI=1/C29H32F3N5O5S2/c1-17(29(30,31)32)37-44(39,40)23-10-9-20(21-15-33-12-11-19(21)23)25-22(13-18-7-5-4-6-8-18)34-27(43-25)26-35-24(42-36-26)14-28(2,3)41-16-38/h9-12,15-18,37H,4-8,13-14H2,1-3H3/t17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0800n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310687
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1cnc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1/C24H25F9N4O4S/c1-11-6-4-5-7-37(11)19(39)15-16(42-18(36-15)17(38)35-10-20(2,3)40)12-9-34-14(8-13(12)22(25,26)27)21(41,23(28,29)30)24(31,32)33/h8-9,11,40-41H,4-7,10H2,1-3H3,(H,35,38)/t11-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0800n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285762
PNG
(US10080744, Example 3/29)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(C)(C)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C26H29Cl2F3N4O5S2/c1-12(26(29,30)31)35-42(38,39)16-7-6-14(18(27)19(16)28)20-15(8-13-9-24(2,3)10-13)32-22(41-20)21-34-33-17(40-21)11-25(4,5)23(36)37/h6-7,12-13,35H,8-11H2,1-5H3,(H,36,37)/t12-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.0830n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM339027
PNG
(US10201546, Example 1c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCC(F)(F)CC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C28H30ClF2N5O2/c1-16-5-7-22(17(2)33-16)28(37,24-15-32-35-36(24)3)19-6-8-23-20(14-19)25(29)21(26(34-23)38-4)13-18-9-11-27(30,31)12-10-18/h5-8,14-15,18,37H,9-13H2,1-4H3/t28-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.100n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220235
PNG
(US9290476, 80A | US9290476, 80B | US9290476, 80C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C27H24ClF3N6O2/c1-15-32-13-22(36(15)2)26(38,23-14-33-35-37(23)3)18-9-10-21-19(12-18)24(28)20(25(34-21)39-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-14,38H,11H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.110n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310654
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES CC(C)Oc1cc(ccc1-c1sc(nc1C(=O)N1CC(F)(F)C[C@@H]1C)C(=O)N1C[C@@H](O)C[C@@H](O)C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C27H29F8N3O6S/c1-12(2)44-18-6-14(25(43,26(30,31)32)27(33,34)35)4-5-17(18)20-19(22(41)38-11-24(28,29)8-13(38)3)36-21(45-20)23(42)37-9-15(39)7-16(40)10-37/h4-6,12-13,15-16,39-40,43H,7-11H2,1-3H3/t13-,15-,16+/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.110n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310653
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1/C25H22F11N3O5S/c1-10-6-21(26,27)9-39(10)19(42)16-17(45-18(37-16)20(43)38-7-12(40)5-13(41)8-38)14-3-2-11(4-15(14)23(28,29)30)22(44,24(31,32)33)25(34,35)36/h2-4,10,12-13,40-41,44H,5-9H2,1H3/t10-,12-,13+/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.110n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM392075
PNG
(US10301272, Example 7/8)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H41N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h13-14,18-20,33H,4-12,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.110n/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...


Bioorg Med Chem Lett 28: 1446-1455 (2018)

More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220236
PNG
(US9290476, 81A | US9290476, 81B | US9290476, 81C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C28H24F3N7O2/c1-16-33-14-24(37(16)2)27(39,25-15-34-36-38(25)3)19-9-10-23-20(12-19)22(13-32)21(26(35-23)40-4)11-17-5-7-18(8-6-17)28(29,30)31/h5-10,12,14-15,39H,11H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.120n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285775
PNG
(US10080744, Example 3/42)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(Cc2ccc(F)cc2)c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C27H20F9N3O4S/c1-24(2,23(40)41)11-18-38-39-21(43-18)22-37-17(9-12-3-6-14(28)7-4-12)19(44-22)15-8-5-13(10-16(15)20(29)30)25(42,26(31,32)33)27(34,35)36/h3-8,10,20,42H,9,11H2,1-2H3,(H,40,41)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.120n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285784
PNG
(US10080744, Example 8/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1/C30H32F5N5O5S2/c1-4-22(30(33,34)35)39-47(43,44)21-11-10-19(17-8-5-6-9-18(17)21)24-20(15-40-13-7-12-29(31,32)16-40)36-26(46-24)25-38-37-23(45-25)14-28(2,3)27(41)42/h5-6,8-11,22,39H,4,7,12-16H2,1-3H3,(H,41,42)/t22-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.120n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM392076
PNG
(US10301272, Example 7/9)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.120n/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...


Bioorg Med Chem Lett 28: 1446-1455 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285801
PNG
(US10080744, Example 12)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1/C27H29F8N5O5S2/c1-4-16(27(33,34)35)39-47(43,44)15-7-6-13(18(19(15)28)21(29)30)20-14(11-40-9-5-8-26(31,32)12-40)36-23(46-20)22-37-17(45-38-22)10-25(2,3)24(41)42/h6-7,16,21,39H,4-5,8-12H2,1-3H3,(H,41,42)/t16-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.120n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220236
PNG
(US9290476, 81A | US9290476, 81B | US9290476, 81C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C28H24F3N7O2/c1-16-33-14-24(37(16)2)27(39,25-15-34-36-38(25)3)19-9-10-23-20(12-19)22(13-32)21(26(35-23)40-4)11-17-5-7-18(8-6-17)28(29,30)31/h5-10,12,14-15,39H,11H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.120n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285791
PNG
(US10080744, Example 11/2)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c2ccncc12)C(F)(F)F
Show InChI InChI=1/C29H32F3N5O5S2/c1-17(29(30,31)32)37-44(39,40)23-10-9-20(19-11-12-33-15-21(19)23)25-22(13-18-7-5-4-6-8-18)34-27(43-25)26-35-24(42-36-26)14-28(2,3)41-16-38/h9-12,15-18,37H,4-8,13-14H2,1-3H3/t17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.120n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220235
PNG
(US9290476, 80A | US9290476, 80B | US9290476, 80C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C27H24ClF3N6O2/c1-15-32-13-22(36(15)2)26(38,23-14-33-35-37(23)3)18-9-10-21-19(12-18)24(28)20(25(34-21)39-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-14,38H,11H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.140n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM220233
PNG
(US9290476, 77A | US9290476, 77B | US9290476, 77C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.140n/an/an/a7.01



Janssen Pharmaceutica NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285795
PNG
(US10080744, Example 11/6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1/C26H28F6N4O5S2/c1-4-17(26(30,31)32)36-43(38,39)16-9-8-14(19(20(16)27)22(28)29)21-15(10-13-6-5-7-13)33-24(42-21)23-34-18(41-35-23)11-25(2,3)40-12-37/h8-9,12-13,17,22,36H,4-7,10-11H2,1-3H3/t17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.140n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310651
PNG
((5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1/C24H21Cl2F8N3O5S/c1-9-5-21(27,28)8-37(9)19(40)16-17(43-18(35-16)20(41)36-6-10(38)4-11(39)7-36)12-2-3-13(15(26)14(12)25)22(42,23(29,30)31)24(32,33)34/h2-3,9-11,38-39,42H,4-8H2,1H3/t9-,10-,11+/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.150n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM285798
PNG
(US10080744, Example 11/9)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)-c1noc(CC(C)(C)OC=O)n1)C(F)(F)F
Show InChI InChI=1/C31H37F3N4O4S/c1-18(31(32,33)34)35-27(40)21-13-20(14-22(15-21)30(4)10-11-30)25-23(12-19-8-6-5-7-9-19)36-28(43-25)26-37-24(42-38-26)16-29(2,3)41-17-39/h13-15,17-19H,5-12,16H2,1-4H3,(H,35,40)/t18-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.150n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 12196 total )  |  Next  |  Last  >>
Jump to: