BDBM50187770 7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinoxalin-5-yl dimethylsulfamate::CHEMBL212982

SMILES: CN(C)S(=O)(=O)Oc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2nccnc12

InChI Key: InChIKey=JTTLHFCYBBBDEX-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 = 50187770   

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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50187770 (7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-...) Show SMILES CN(C)S(=O)(=O)Oc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2nccnc12 Show InChI InChI=1S/C19H17FN4O5S/c1-23(2)30(27,28)29-18-13-10-24(9-11-3-5-12(20)6-4-11)19(26)14(13)17(25)15-16(18)22-8-7-21-15/h3-8,25H,9-10H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of strand transfer activity in HIV1 integrase				Bioorg Med Chem Lett 16: 3985-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.018 BindingDB Entry DOI: 10.7270/Q25T3K3Z
					More data for this Ligand-Target Pair