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SMILES: CC(C)c1c(OC2CCCCC2C)cc(CCc2ccccc2)[nH]c1=O

InChI Key: InChIKey=TWHPGIQZGKDNQM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50490782   
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


(Human immunodeficiency virus 1)		BDBM50490782
PNG
(CHEMBL2337437)
Show SMILES CC(C)c1c(OC2CCCCC2C)cc(CCc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C23H31NO2/c1-16(2)22-21(26-20-12-8-7-9-17(20)3)15-19(24-23(22)25)14-13-18-10-5-4-6-11-18/h4-6,10-11,15-17,20H,7-9,12-14H2,1-3H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase after 1 hr by colorimetric assay

J Med Chem 56: 3593-608 (2013)


Article DOI: 10.1021/jm400102x
BindingDB Entry DOI: 10.7270/Q2N019FF
More data for this
Ligand-Target Pair