BDBM50045066 CHEMBL3310414

SMILES: COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCOCC2)c1=O

InChI Key: InChIKey=JWEIXFUUVXKBKI-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 = 50045066   

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)	BDBM50045066 (CHEMBL3310414) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCOCC2)c1=O Show InChI InChI=1S/C25H27FN4O6/c1-35-9-6-27-24(33)21-23(32)22-19(13-17(14-28-22)12-16-2-4-18(26)5-3-16)30(25(21)34)15-20(31)29-7-10-36-11-8-29/h2-5,13-14,32H,6-12,15H2,1H3,(H,27,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60	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