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BDBM339346 US10201546, Example 206a::US10201546, Example 206b::US10201546, Example 206c

SMILES: COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C

InChI Key: InChIKey=HZFWLXBGMRASQB-UHFFFAOYSA-N

Data: 3 IC50  3 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 339346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339346
PNG
(US10201546, Example 206a | US10201546, Example 206...)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 4.40n/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)

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


(Homo sapiens (Human))
BDBM339346
PNG
(US10201546, Example 206a | US10201546, Example 206...)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 41n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339346
PNG
(US10201546, Example 206a | US10201546, Example 206...)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339346
PNG
(US10201546, Example 206a | US10201546, Example 206...)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339346
PNG
(US10201546, Example 206a | US10201546, Example 206...)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 10n/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)

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


(Homo sapiens (Human))
BDBM339346
PNG
(US10201546, Example 206a | US10201546, Example 206...)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 4.60n/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)

More data for this
Ligand-Target Pair