BDBM50017361 CHEMBL3288267

SMILES: Oc1c(C(=O)NCCc2ccc(F)cc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O

InChI Key: InChIKey=NWNSHXWDHQZYQX-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 = 50017361   

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)	BDBM50017361 (CHEMBL3288267) Show SMILES Oc1c(C(=O)NCCc2ccc(F)cc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O Show InChI InChI=1S/C18H14FN3O6/c19-11-3-1-10(2-4-11)7-8-20-16(23)15-13-6-5-12(22(27)28)9-14(13)17(24)21(26)18(15)25/h1-6,9,25-26H,7-8H2,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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