BDBM50042017 CHEMBL3360124

SMILES: Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O

InChI Key: InChIKey=VNLAXPSXQWQHOY-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 = 50042017   

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)	BDBM50042017 (CHEMBL3360124) Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-26-17(12-5-6-31-9-12)25-15(16(28)20(26)30)19(29)22-8-11-3-4-13(21)7-14(11)18-23-10-24-27(18)2/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair