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BDBM50495879 CHEMBL3114046

SMILES: COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1

InChI Key: InChIKey=QGRSBMXFQICGKZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50495879   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50495879
PNG
(CHEMBL3114046)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1
Show InChI InChI=1S/C25H21Cl2N3O5S2/c1-14-8-15(2)10-18(9-14)37(33,34)30-22-12-17(26)5-7-21(22)29-25(30)36-13-23(31)28-20-6-4-16(11-19(20)27)24(32)35-3/h4-12H,13H2,1-3H3,(H,28,31)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.76E+4n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant wild type HIV-1 reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia col...


Bioorg Med Chem 22: 1459-67 (2014)


Article DOI: 10.1016/j.bmc.2013.12.045
BindingDB Entry DOI: 10.7270/Q2QF8WT5
More data for this
Ligand-Target Pair