new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 Reverse Transcriptase Mutant (103N/181C)' and Ligand = 'BDBM27605'   
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
HIV-1 Reverse Transcriptase Mutant (103N/181C)


(Human immunodeficiency virus type 1)
BDBM27605
PNG
(4-[4-(2-{[4-(4-tert-butyl-2-chlorophenyl)-5-methyl...)
Show SMILES Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)C#CC(C)(C)C(O)=O)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;10.02,1.86,;11.51,1.47,;11.11,-.02,;12.6,.38,;12.6,2.55,;14.08,2.16,;12.2,4.04,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)|
Show InChI InChI=1S/C28H29Cl2N3O4/c1-16-24(19-9-8-18(14-20(19)29)27(2,3)4)25(33-32-16)37-15-23(34)31-22-10-7-17(13-21(22)30)11-12-28(5,6)26(35)36/h7-10,13-14H,15H2,1-6H3,(H,31,34)(H,32,33)(H,35,36)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/a 73n/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation prox imity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value repres...


Bioorg Med Chem Lett 19: 1199-205 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.074
BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
More data for this
Ligand-Target Pair