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SMILES: COC(=O)CCC\C=C(\c1cc(C)c2on(C)c(=O)c2c1)c1cc(Cl)ccc1OC

InChI Key: InChIKey=ICMDEZHREZJAGV-IDUWFGFVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173811   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50173811
PNG
((Z)-6-(5-Chloro-2-methoxy-phenyl)-6-(2,7-dimethyl-...)
Show SMILES COC(=O)CCC\C=C(\c1cc(C)c2on(C)c(=O)c2c1)c1cc(Cl)ccc1OC
Show InChI InChI=1S/C23H24ClNO5/c1-14-11-15(12-19-22(14)30-25(2)23(19)27)17(7-5-6-8-21(26)29-4)18-13-16(24)9-10-20(18)28-3/h7,9-13H,5-6,8H2,1-4H3/b17-7-
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase activity

J Med Chem 48: 6140-55 (2005)


Article DOI: 10.1021/jm050452s
BindingDB Entry DOI: 10.7270/Q2TB16F6
More data for this
Ligand-Target Pair