BDBM50017362 CHEMBL3288268

SMILES: COc1ccc(CNC(=O)c2c(O)n(O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1

InChI Key: InChIKey=WJQHJGWVZWXZIU-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 = 50017362   

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)	BDBM50017362 (CHEMBL3288268) Show SMILES COc1ccc(CNC(=O)c2c(O)n(O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N3O7/c1-28-12-5-2-10(3-6-12)9-19-16(22)15-13-7-4-11(21(26)27)8-14(13)17(23)20(25)18(15)24/h2-8,24-25H,9H2,1H3,(H,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair