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SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2nccc(n2)C(F)(F)F)nc1

InChI Key: InChIKey=UVZNTEKWMBWHJL-NRFANRHFSA-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 2 hits for monomerid = 469069   
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))
BDBM469069
PNG
(US10807980, Compound 6)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2nccc(n2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C24H25F3N6O3S/c1-4-37(35,36)18-6-5-17(29-12-18)11-31-22(34)15-9-16-13-33(21(14(2)3)20(16)30-10-15)23-28-8-7-19(32-23)24(25,26)27/h5-10,12,14,21H,4,11,13H2,1-3H3,(H,31,34)/t21-/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)


BindingDB Entry DOI: 10.7270/Q2PR803S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM469069
PNG
(US10807980, Compound 6)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2nccc(n2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C24H25F3N6O3S/c1-4-37(35,36)18-6-5-17(29-12-18)11-31-22(34)15-9-16-13-33(21(14(2)3)20(16)30-10-15)23-28-8-7-19(32-23)24(25,26)27/h5-10,12,14,21H,4,11,13H2,1-3H3,(H,31,34)/t21-/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)


BindingDB Entry DOI: 10.7270/Q2PR803S
More data for this
Ligand-Target Pair