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BDBM347146 US10202404, Compound A-17

SMILES: C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12

InChI Key: InChIKey=NXWMGDQSTJADHV-BMIGLBTASA-N

Data: 1 EC50

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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 = 347146   
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...)
BDBM347146
PNG
(US10202404, Compound A-17)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12 |r|
Show InChI InChI=1S/C21H18ClFN4O4S/c1-10-5-6-31-15-9-26-8-12(18(28)19(29)17(26)21(30)27(10)15)20-25-24-14(32-20)7-11-3-2-4-13(22)16(11)23/h2-4,8,10,15,29H,5-7,9H2,1H3/t10-,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.30n/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