BDBM50482811 CHEMBL1258504

SMILES: Oc1c(nc2c(cc(cn2c1=O)N1CCOCC1)N1CCCS1(=O)=O)-c1ncc(Cc2ccc(F)cc2)[nH]1

InChI Key: InChIKey=BMKDHJRRYRCOJM-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 = 50482811   

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)	BDBM50482811 (CHEMBL1258504) Show SMILES Oc1c(nc2c(cc(cn2c1=O)N1CCOCC1)N1CCCS1(=O)=O)-c1ncc(Cc2ccc(F)cc2)[nH]1 Show InChI InChI=1S/C25H25FN6O5S/c26-17-4-2-16(3-5-17)12-18-14-27-23(28-18)21-22(33)25(34)31-15-19(30-7-9-37-10-8-30)13-20(24(31)29-21)32-6-1-11-38(32,35)36/h2-5,13-15,33H,1,6-12H2,(H,27,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Avexa Ltd Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated 3'-processing and strand transfer activity				Bioorg Med Chem Lett 20: 5909-12 (2010) Article DOI: 10.1016/j.bmcl.2010.07.081 BindingDB Entry DOI: 10.7270/Q2XW4NNV
					More data for this Ligand-Target Pair