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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50505280'   
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)		BDBM50505280
PNG
(CHEMBL4528039)
Show SMILES Cc1c(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(NC(=O)C=C)c2ccc(cc12)C#N
Show InChI InChI=1S/C27H22N4O5/c1-3-25(32)29-21-15-24(17(2)20-14-18(16-28)8-9-19(20)21)36-23-7-5-4-6-22(23)35-13-12-31-11-10-26(33)30-27(31)34/h3-11,14-15H,1,12-13H2,2H3,(H,29,32)(H,30,33,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a>1.20E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase p66/p51 K103N/Y181C mutant infected in human MT2 cells assessed as reduction in viral infection incubated fo...

J Med Chem 62: 9375-9414 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00359
BindingDB Entry DOI: 10.7270/Q2BR8WFX
More data for this
Ligand-Target Pair