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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Structural capsid protein' and Ligand = 'BDBM50500826'   
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
Structural capsid protein


(Human immunodeficiency virus 1)		BDBM50500826
PNG
(CHEMBL3771171)
Show SMILES CCNS(=O)(=O)c1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C21H19N5O2S/c1-2-23-29(27,28)17-11-9-16(10-12-17)24-21-18-7-3-4-8-19(18)25-20(26-21)15-6-5-13-22-14-15/h3-14,23H,2H2,1H3,(H,24,25,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal GST-tagged HIV1 NL4-3 capsid C-terminal domain (146 to 231 residues) incubated for 2 hrs by alphascreen as...

J Med Chem 59: 545-58 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01089
BindingDB Entry DOI: 10.7270/Q2F192QN
More data for this
Ligand-Target Pair