BDBM338414 US9751873, Example 102::methyl 4-[2,5-difluoro-4-[[(3S,6R)- 3-methyl-1,1-dioxo-6-phenyl- thiazinan-2- yl]methyl]phenyl]tetrahydropyran-4- carboxylate

SMILES: COC(=O)C1CCOCC1c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F

InChI Key: InChIKey=MMGKAZJDUTWPJK-FFGSRPEISA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 338414   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM338414 (US9751873, Example 102 | methyl 4-[2,5-difluoro-4-...) Show SMILES COC(=O)C1CCOCC1c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F |r| Show InChI InChI=1S/C25H29F2NO5S/c1-16-8-9-24(17-6-4-3-5-7-17)34(30,31)28(16)14-18-12-23(27)20(13-22(18)26)21-15-33-11-10-19(21)25(29)32-2/h3-7,12-13,16,19,21,24H,8-11,14-15H2,1-2H3/t16-,19?,21?,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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
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