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BDBM338458 (3S,6R)-2-[[2,5-difluoro-4-[4- (1,2,4-triazol-4-yl)-1- piperidyl]phenyl]methyl]-3-ethyl- 6-phenyl-thiazinane 1,1-dioxide::US9751873, Example 145

SMILES: CC[C@@H](CC[C@H](c1ccccc1)S(=O)=O)NCc1cc(F)c(cc1F)N1CCC(CC1)N(C=N)C=N

InChI Key: InChIKey=ORVQIYMYHBDINA-HFZDXXHNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 338458   
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 (RORC)


(Homo sapiens (Human))
BDBM338458
PNG
((3S,6R)-2-[[2,5-difluoro-4-[4- (1,2,4-triazol-4-yl...)
Show SMILES CC[C@@H](CC[C@H](c1ccccc1)S(=O)=O)NCc1cc(F)c(cc1F)N1CCC(CC1)N(C=N)C=N |r|
Show InChI InChI=1S/C26H35F2N5O2S/c1-2-21(8-9-26(36(34)35)19-6-4-3-5-7-19)31-16-20-14-24(28)25(15-23(20)27)32-12-10-22(11-13-32)33(17-29)18-30/h3-7,14-15,17-18,21-22,26,29-31,36H,2,8-13,16H2,1H3/t21-,26+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair