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BDBM93213 Benzimidazole Inhibitor, 6

SMILES: OC(=O)c1ccc(cc1)-c1ccc2n(CCCNC3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=WOIQDWWCKVIOSB-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 93213   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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...)
BDBM93213
PNG
(Benzimidazole Inhibitor, 6)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCNC3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H31Cl2N5O2/c33-26-13-11-23(17-27(26)34)30-25(19-36-38-30)31-37-28-18-22(20-7-9-21(10-8-20)32(40)41)12-14-29(28)39(31)16-4-15-35-24-5-2-1-3-6-24/h7-14,17-19,24,35H,1-6,15-16H2,(H,36,38)(H,40,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350 500n/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