BDBM50500821 CHEMBL3769485

SMILES: CC(O)c1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1

InChI Key: InChIKey=ZZGJPNKWPLRCPK-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50500821   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50500821 (CHEMBL3769485) Show SMILES CC(O)c1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1 Show InChI InChI=1S/C21H18N4O/c1-14(26)15-8-10-17(11-9-15)23-21-18-6-2-3-7-19(18)24-20(25-21)16-5-4-12-22-13-16/h2-14,26H,1H3,(H,23,24,25)	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
					More data for this Ligand-Target Pair