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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50493796'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50493796
PNG
(CHEMBL2443100)
Show SMILES COc1ccc(CSc2nc(C(=O)c3ccccc3F)c(C(C)C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H21FN2O3S/c1-13(2)18-19(20(26)16-6-4-5-7-17(16)23)24-22(25-21(18)27)29-12-14-8-10-15(28-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,24,25,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...

Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair