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SMILES: COc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O

InChI Key: InChIKey=GCAOXZIBYQSMMA-XWCIJXRUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335490   
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
Solute carrier family 22 member 2


(Homo sapiens (Human))		BDBM335490
PNG
((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...)
Show SMILES COc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r|
Show InChI InChI=1S/C22H20F3N3O5/c1-32-20-18-22(31)28-11-2-3-12(6-11)33-17(28)9-27(18)8-14(19(20)29)21(30)26-7-13-15(24)4-10(23)5-16(13)25/h4-5,8,11-12,17H,2-3,6-7,9H2,1H3,(H,26,30)/t11-,12+,17+/m0/s1
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PC cid
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US Patent
n/an/a 487n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...

US Patent US9732092 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0C2R
More data for this
Ligand-Target Pair