BDBM50045105 CHEMBL3309904

SMILES: CNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O

InChI Key: InChIKey=XRNBUPRKOYQWFN-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 = 50045105   

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)	BDBM50045105 (CHEMBL3309904) Show SMILES CNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O Show InChI InChI=1S/C20H19FN4O4/c1-22-15(26)10-25-14-8-12(7-11-3-5-13(21)6-4-11)9-24-17(14)18(27)16(20(25)29)19(28)23-2/h3-6,8-9,27H,7,10H2,1-2H3,(H,22,26)(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	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