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SMILES: Oc1c2C(=O)N3[C@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)O[C@H]1CCC[C@@H]31

InChI Key: InChIKey=WPEKSHJKDVSAFG-VYDXJSESSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 347190   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM347190
PNG
(US10202404, Compound A-63)
Show SMILES Oc1c2C(=O)N3[C@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)O[C@H]1CCC[C@@H]31 |r|
Show InChI InChI=1S/C22H18F2N4O4S/c23-11-5-4-10(13(24)7-11)6-16-25-26-21(33-16)12-8-27-9-17-28(14-2-1-3-15(14)32-17)22(31)18(27)20(30)19(12)29/h4-5,7-8,14-15,17,30H,1-3,6,9H2/t14-,15+,17+/m1/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...

US Patent US10202404 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair