BindingDB logo
myBDB logout

Patent code US9861612

Compile Data Set for Download or QSAR
Found 9 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))
BDBM364365
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-7-fluor...)
Show SMILES OC(=O)c1ccc(cc1O)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H12ClF4NO4/c24-16-5-2-4-15(23(26,27)28)19(16)21(31)14-10-29(20-12(14)3-1-6-17(20)25)11-7-8-13(22(32)33)18(30)9-11/h1-10,30H,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 17.9n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

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


(Homo sapiens (Human))
BDBM364366
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-7-fluor...)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H11ClF5NO3/c24-15-5-2-4-14(23(27,28)29)19(15)21(31)13-10-30(20-12(13)3-1-6-16(20)25)18-8-7-11(22(32)33)9-17(18)26/h1-10H,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 37.9n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

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


(Homo sapiens (Human))
BDBM364366
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-7-fluor...)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H11ClF5NO3/c24-15-5-2-4-14(23(27,28)29)19(15)21(31)13-10-30(20-12(13)3-1-6-16(20)25)18-8-7-11(22(32)33)9-17(18)26/h1-10H,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 42.9n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

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


(Homo sapiens (Human))
BDBM364364
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-7-fluor...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H13ClF3NO3/c24-18-6-3-5-17(23(25,26)27)20(18)21(29)16-12-28(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(30)31/h1-12H,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 43.6n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

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


(Homo sapiens (Human))
BDBM364371
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-1 H-ind...)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-14-4-2-5-15(24)19(14)21(28)13-10-27(20-12(13)3-1-6-16(20)25)18-8-7-11(22(29)30)9-17(18)26/h1-10H,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 59.6n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

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


(Homo sapiens (Human))
BDBM364369
PNG
(4-[7-fluoro-3-[2-fluoro-6-(trifluoromethyl)benzoyl...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(F)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H12F5NO3/c24-17-5-2-4-16(23(26,27)28)19(17)21(30)15-11-29(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(31)32/h1-11H,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 61.9n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

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


(Homo sapiens (Human))
BDBM364370
PNG
(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-16-4-2-5-17(24)19(16)21(27)15-11-26(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 91.6n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

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


(Homo sapiens (Human))
BDBM364364
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-7-fluor...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H13ClF3NO3/c24-18-6-3-5-17(23(25,26)27)20(18)21(29)16-12-28(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(30)31/h1-12H,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 97.4n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

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


(Homo sapiens (Human))
BDBM364372
PNG
(3-fluoro-4-[7-fluoro-3-[2-fluoro-6-(trifluoromethy...)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(F)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H11F6NO3/c24-15-5-2-4-14(23(27,28)29)19(15)21(31)13-10-30(20-12(13)3-1-6-16(20)25)18-8-7-11(22(32)33)9-17(18)26/h1-10H,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 111n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...


US Patent US9861612 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%