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SMILES: CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=LHKUZADTYMKIII-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 = 317910   
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))
BDBM317910
PNG
(US10399976, Compound 63 | US10807980, Compound 63 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H33F3N4O3S/c1-17(2)24-23-21(16-32(24)15-19-4-6-22(7-5-19)26(27,28)29)12-20(14-30-23)25(34)31-13-18-8-10-33(11-9-18)37(3,35)36/h4-7,12,14,17-18,24H,8-11,13,15-16H2,1-3H3,(H,31,34)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/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))
BDBM317910
PNG
(US10399976, Compound 63 | US10807980, Compound 63 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H33F3N4O3S/c1-17(2)24-23-21(16-32(24)15-19-4-6-22(7-5-19)26(27,28)29)12-20(14-30-23)25(34)31-13-18-8-10-33(11-9-18)37(3,35)36/h4-7,12,14,17-18,24H,8-11,13,15-16H2,1-3H3,(H,31,34)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/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))
BDBM317910
PNG
(US10399976, Compound 63 | US10807980, Compound 63 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H33F3N4O3S/c1-17(2)24-23-21(16-32(24)15-19-4-6-22(7-5-19)26(27,28)29)12-20(14-30-23)25(34)31-13-18-8-10-33(11-9-18)37(3,35)36/h4-7,12,14,17-18,24H,8-11,13,15-16H2,1-3H3,(H,31,34)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/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))
BDBM317910
PNG
(US10399976, Compound 63 | US10807980, Compound 63 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H33F3N4O3S/c1-17(2)24-23-21(16-32(24)15-19-4-6-22(7-5-19)26(27,28)29)12-20(14-30-23)25(34)31-13-18-8-10-33(11-9-18)37(3,35)36/h4-7,12,14,17-18,24H,8-11,13,15-16H2,1-3H3,(H,31,34)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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))
BDBM317910
PNG
(US10399976, Compound 63 | US10807980, Compound 63 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H33F3N4O3S/c1-17(2)24-23-21(16-32(24)15-19-4-6-22(7-5-19)26(27,28)29)12-20(14-30-23)25(34)31-13-18-8-10-33(11-9-18)37(3,35)36/h4-7,12,14,17-18,24H,8-11,13,15-16H2,1-3H3,(H,31,34)/t24-/m0/s1
PDB

UniProtKB/SwissProt

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