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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 93214   
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
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM93214
PNG
(Benzodiazepine Inhibitor, 7)
Show SMILES COCCN=CC1C(=O)N(C)c2ccc(cc2N(c2ccccc2)C1=O)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C21H20F3N3O3/c1-26-17-9-8-14(21(22,23)24)12-18(17)27(15-6-4-3-5-7-15)20(29)16(19(26)28)13-25-10-11-30-2/h3-9,12-13,16H,10-11H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.


ACS Chem Biol 8: 1074-82 (2013)


Article DOI: 10.1021/cb400075f
BindingDB Entry DOI: 10.7270/Q2W094JX
More data for this
Ligand-Target Pair