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BDBM344427 (R)-3-((S)-4-((3-chloro-4-fluorophenyl)sulfonyl)-6-((((1,1,1-trifluoro-2-methylpropan-2-yl)oxy)carbonyl)amino)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)-2-methylpropanoic acid::US9783511, 2A::US9783511, 5A

SMILES: C[C@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(O)=O

InChI Key: InChIKey=SFGVENZYNVHZMZ-OCCSQVGLSA-N

Data: 2 IC50

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 = 344427   
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))
BDBM344427
PNG
((R)-3-((S)-4-((3-chloro-4-fluorophenyl)sulfonyl)-6...)
Show SMILES C[C@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClF4N2O7S/c1-12(20(31)32)8-14-11-30(38(34,35)15-5-6-17(25)16(24)10-15)18-9-13(4-7-19(18)36-14)29-21(33)37-22(2,3)23(26,27)28/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,29,33)(H,31,32)/t12-,14+/m1/s1
PDB

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PC sid
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US Patent
n/an/a 7n/an/an/an/an/an/a



Lycera Corporation

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)


BindingDB Entry DOI: 10.7270/Q21J9CXH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM344427
PNG
((R)-3-((S)-4-((3-chloro-4-fluorophenyl)sulfonyl)-6...)
Show SMILES C[C@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClF4N2O7S/c1-12(20(31)32)8-14-11-30(38(34,35)15-5-6-17(25)16(24)10-15)18-9-13(4-7-19(18)36-14)29-21(33)37-22(2,3)23(26,27)28/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,29,33)(H,31,32)/t12-,14+/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Lycera Corporation

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)


BindingDB Entry DOI: 10.7270/Q21J9CXH
More data for this
Ligand-Target Pair