BDBM50020277 CHEMBL3288826

SMILES: NCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12

InChI Key: InChIKey=PXUQFKMTYMCSLK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50020277   

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)	BDBM50020277 (CHEMBL3288826) Show SMILES NCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C18H17F2N5O3/c19-11-4-3-10(13(20)8-11)9-24-17(26)14-15(22-7-5-21)12-2-1-6-23-16(12)25(28)18(14)27/h1-4,6,8,22,28H,5,7,9,21H2,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50020277 (CHEMBL3288826) Show SMILES NCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C18H17F2N5O3/c19-11-4-3-10(13(20)8-11)9-24-17(26)14-15(22-7-5-21)12-2-1-6-23-16(12)25(28)18(14)27/h1-4,6,8,22,28H,5,7,9,21H2,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 3'-processing activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair