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SMILES: CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cn1)C#N

InChI Key: InChIKey=RWPDOIAHAORHAK-DEOSSOPVSA-N

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 5 hits for monomerid = 318002   
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))
BDBM318002
PNG
(US10399976, Compound 155 | US10807980, Compound 15...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cn1)C#N |r|
Show InChI InChI=1S/C26H24F3N5O/c1-16(2)24-23-20(15-34(24)14-17-3-6-21(7-4-17)26(27,28)29)9-19(12-32-23)25(35)33-13-22-8-5-18(10-30)11-31-22/h3-9,11-12,16,24H,13-15H2,1-2H3,(H,33,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
550n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US10807980 (2020)

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


(Homo sapiens (Human))
BDBM318002
PNG
(US10399976, Compound 155 | US10807980, Compound 15...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cn1)C#N |r|
Show InChI InChI=1S/C26H24F3N5O/c1-16(2)24-23-20(15-34(24)14-17-3-6-21(7-4-17)26(27,28)29)9-19(12-32-23)25(35)33-13-22-8-5-18(10-30)11-31-22/h3-9,11-12,16,24H,13-15H2,1-2H3,(H,33,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
550n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to ROR gamma in a cell-free competition assay with commercially available radio-li...


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM318002
PNG
(US10399976, Compound 155 | US10807980, Compound 15...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cn1)C#N |r|
Show InChI InChI=1S/C26H24F3N5O/c1-16(2)24-23-20(15-34(24)14-17-3-6-21(7-4-17)26(27,28)29)9-19(12-32-23)25(35)33-13-22-8-5-18(10-30)11-31-22/h3-9,11-12,16,24H,13-15H2,1-2H3,(H,33,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
550n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM318002
PNG
(US10399976, Compound 155 | US10807980, Compound 15...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cn1)C#N |r|
Show InChI InChI=1S/C26H24F3N5O/c1-16(2)24-23-20(15-34(24)14-17-3-6-21(7-4-17)26(27,28)29)9-19(12-32-23)25(35)33-13-22-8-5-18(10-30)11-31-22/h3-9,11-12,16,24H,13-15H2,1-2H3,(H,33,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for RORγ inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol...


US Patent US10807980 (2020)

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


(Homo sapiens (Human))
BDBM318002
PNG
(US10399976, Compound 155 | US10807980, Compound 15...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cn1)C#N |r|
Show InChI InChI=1S/C26H24F3N5O/c1-16(2)24-23-20(15-34(24)14-17-3-6-21(7-4-17)26(27,28)29)9-19(12-32-23)25(35)33-13-22-8-5-18(10-30)11-31-22/h3-9,11-12,16,24H,13-15H2,1-2H3,(H,33,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ROR gamma inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol...


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair