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BDBM93212 Benzimidazole Inhibitor, 5

SMILES: OC(=O)c1ccc(cc1)-c1ccc2n(CCCN3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=UHFPVUXQAQUMRI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 93212   
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...)		BDBM93212
PNG
(Benzimidazole Inhibitor, 5)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCN3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H30F3N5O2/c33-32(34,35)25-12-9-22(10-13-25)29-26(20-36-38-29)30-37-27-19-24(21-5-7-23(8-6-21)31(41)42)11-14-28(27)40(30)18-4-17-39-15-2-1-3-16-39/h5-14,19-20H,1-4,15-18H2,(H,36,38)(H,41,42)
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Article
PubMed
n/an/a 670n/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