BDBM50045084 CHEMBL3310086

SMILES: CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O

InChI Key: InChIKey=ZXSZYVWKHLHJMU-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 = 50045084   

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
Integrase (Human immunodeficiency virus 1)	BDBM50045084 (CHEMBL3310086) Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O Show InChI InChI=1S/C22H23FN4O5/c1-26(2)17(29)12-27-16-10-14(9-13-3-5-15(23)6-4-13)11-25-19(16)20(30)18(22(27)32)21(31)24-7-8-28/h3-6,10-11,28,30H,7-9,12H2,1-2H3,(H,24,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair