Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Structural capsid protein' and Ligand = 'BDBM50500830'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50500830 (CHEMBL3771220) Show SMILES CS(=O)(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1 Show InChI InChI=1S/C20H16N4O2S/c1-27(25,26)16-8-6-15(7-9-16)22-20-17-4-2-3-5-18(17)23-19(24-20)14-10-12-21-13-11-14/h2-13H,1H3,(H,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
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