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BDBM288021 US10087178, Example 3

SMILES: COCC1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F

InChI Key: InChIKey=CYMQCUYEZMEGGA-HHFNTAFCSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288021   
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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)		BDBM288021
PNG
(US10087178, Example 3)
Show SMILES COCC1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,(5.33,-6.09,;5.33,-4.55,;4,-3.78,;4,-2.24,;5.09,-1.15,;4,-.07,;2.91,-1.15,;5.33,.7,;5.33,2.24,;6.67,3.01,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)|
Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12?,22-
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.20n/an/an/a25



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...

US Patent US10087178 (2018)


BindingDB Entry DOI: 10.7270/Q20C4XSD
More data for this
Ligand-Target Pair