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SMILES: COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(Cl)ccc1OC

InChI Key: InChIKey=FGROHMXANALKHR-QGMBQPNBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173805   
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)		BDBM50173805
PNG
((E)-6-(5-Chloro-2-methoxy-phenyl)-6-(3-cyano-pheny...)
Show SMILES COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(Cl)ccc1OC
Show InChI InChI=1S/C21H20ClNO3/c1-25-20-11-10-17(22)13-19(20)18(8-3-4-9-21(24)26-2)16-7-5-6-15(12-16)14-23/h5-8,10-13H,3-4,9H2,1-2H3/b18-8+
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.58E+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