BDBM50500828 CHEMBL3770162

SMILES: CCOC(=O)c1ccccc1Nc1nc(nc2ccccc12)-c1ccncc1

InChI Key: InChIKey=WUJNKDCSFACRDM-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 = 50500828   

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)	BDBM50500828 (CHEMBL3770162) Show SMILES CCOC(=O)c1ccccc1Nc1nc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C22H18N4O2/c1-2-28-22(27)17-8-4-6-10-19(17)25-21-16-7-3-5-9-18(16)24-20(26-21)15-11-13-23-14-12-15/h3-14H,2H2,1H3,(H,24,25,26)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	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