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BDBM2254 2-Pyridinone derivative 34::3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2-amine::3-[2-(Benzoxazol-2-y1)ethyl]-2-amino-5-ethy l-6-methylpyridin

SMILES: CCc1cc(CCc2nc3ccccc3o2)c(N)nc1C

InChI Key: InChIKey=XOSZOJXGUNMWOW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2254   
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 Reverse Transcriptase


(Human immunodeficiency virus type 1)		BDBM2254
PNG
(2-Pyridinone derivative 34 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CCc1cc(CCc2nc3ccccc3o2)c(N)nc1C
Show InChI InChI=1S/C17H19N3O/c1-3-12-10-13(17(18)19-11(12)2)8-9-16-20-14-6-4-5-7-15(14)21-16/h4-7,10H,3,8-9H2,1-2H3,(H2,18,19)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair