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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50492171'   
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)		BDBM50492171
PNG
(CHEMBL2397575)
Show SMILES Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1ccncc1
Show InChI InChI=1S/C24H22N6O3/c1-29-14-17(13-27-29)16-11-19-21-22(33-23(19)26-12-16)20(15-4-7-25-8-5-15)28-24(31)30(21)9-6-18-3-2-10-32-18/h4-5,7-8,11-14,18H,2-3,6,9-10H2,1H3
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



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay

Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair