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BDBM338397 (3S,6R)-2-[[2-fluoro-4-[(3R,4R)-3- fluoro-4-(1,2,4-triazol-4-yl)-1- piperidyl]phenyl]methyl]-3-methyl- 6-phenyl-thiazinane 1,1-dioxide::US9751873, Example 85::US9751873, Example 94

SMILES: C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@H](F)C1)n1cnnc1

InChI Key: InChIKey=HIDIOJFYPYHFRA-CMRTURKBSA-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 = 338397   
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))
BDBM338397
PNG
((3S,6R)-2-[[2-fluoro-4-[(3R,4R)-3- fluoro-4-(1,2,4...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@H](F)C1)n1cnnc1 |r|
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-21(13-22(20)26)30-12-11-24(23(27)15-30)31-16-28-29-17-31/h2-6,8-9,13,16-18,23-25H,7,10-12,14-15H2,1H3/t18-,23+,24+,25+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/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
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM338397
PNG
((3S,6R)-2-[[2-fluoro-4-[(3R,4R)-3- fluoro-4-(1,2,4...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@H](F)C1)n1cnnc1 |r|
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-21(13-22(20)26)30-12-11-24(23(27)15-30)31-16-28-29-17-31/h2-6,8-9,13,16-18,23-25H,7,10-12,14-15H2,1H3/t18-,23+,24+,25+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.9n/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