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BDBM338335 (1R,5S,6S)-3-[2,5-Difluoro-4- ((3S,6R)-3-methyl-1,1-dioxo-6- phenyl-[1,2]thiazinan-2-ylmethyl)- phenyl]-6-[1,2,4]triazol-4-yl-3-aza- bicyclo[3.1.0]hexane::US9751873, Example 21

SMILES: C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@H]2[C@@H](C1)C2n1cnnc1

InChI Key: InChIKey=PENVMZYMYAXDOU-CEPUOYOXSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 338335   
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))
BDBM338335
PNG
((1R,5S,6S)-3-[2,5-Difluoro-4- ((3S,6R)-3-methyl-1,...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@H]2[C@@H](C1)C2n1cnnc1 |r|
Show InChI InChI=1S/C25H27F2N5O2S/c1-16-7-8-24(17-5-3-2-4-6-17)35(33,34)32(16)11-18-9-22(27)23(10-21(18)26)30-12-19-20(13-30)25(19)31-14-28-29-15-31/h2-6,9-10,14-16,19-20,24-25H,7-8,11-13H2,1H3/t16-,19-,20+,24+,25?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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