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BDBM347164 US10202404, Compound A-36

SMILES: C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12

InChI Key: InChIKey=QRSSVGNAXSJDAP-XXFAHNHDSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 347164   
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...)
BDBM347164
PNG
(US10202404, Compound A-36)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
Show InChI InChI=1S/C21H17F3N4O4S/c1-9-2-3-32-16-8-27-7-12(18(29)19(30)17(27)21(31)28(9)16)20-26-25-15(33-20)6-11-13(23)4-10(22)5-14(11)24/h4-5,7,9,16,30H,2-3,6,8H2,1H3/t9-,16+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.40n/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