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BDBM352918 US9809561, 119

SMILES: CC(C)(OC(=O)Nc1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=IBRHZWGFJKZVAQ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 352918   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM352918
PNG
(US9809561, 119)
Show SMILES CC(C)(OC(=O)Nc1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H17F7N2O5S/c1-19(2,21(26,27)28)35-18(32)29-11-3-5-13-16(9-11)30(8-7-17(13)31)36(33,34)12-4-6-15(22)14(10-12)20(23,24)25/h3-6,9-10H,7-8H2,1-2H3,(H,29,32)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.49n/an/an/an/an/an/a



Lycera Corporation

US Patent


Assay Description
HIS-tagged RORγ-LBD protein was recombinantly expressed in Escherichia coli. The RORγ-LBD protein was purified by Ni2+-affinity resin. Puri...


US Patent US10221146 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9M8K
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM352918
PNG
(US9809561, 119)
Show SMILES CC(C)(OC(=O)Nc1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H17F7N2O5S/c1-19(2,21(26,27)28)35-18(32)29-11-3-5-13-16(9-11)30(8-7-17(13)31)36(33,34)12-4-6-15(22)14(10-12)20(23,24)25/h3-6,9-10H,7-8H2,1-2H3,(H,29,32)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.49n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9809561 (2017)


BindingDB Entry DOI: 10.7270/Q20Z75DC
More data for this
Ligand-Target Pair