BDBM50170917 CHEMBL3805349

SMILES: CCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12

InChI Key: InChIKey=BFTSTMIKYFDXSX-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 = 50170917   

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)	BDBM50170917 (CHEMBL3805349) Show SMILES CCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12 Show InChI InChI=1S/C15H18N2O4/c1-2-3-6-9-16-13(18)12-10-7-4-5-8-11(10)14(19)17(21)15(12)20/h4-5,7-8,12,21H,2-3,6,9H2,1H3,(H,16,18)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA				Eur J Med Chem 117: 256-68 (2016) BindingDB Entry DOI: 10.7270/Q22V2J1P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170917 (CHEMBL3805349) Show SMILES CCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12 Show InChI InChI=1S/C15H18N2O4/c1-2-3-6-9-16-13(18)12-10-7-4-5-8-11(10)14(19)17(21)15(12)20/h4-5,7-8,12,21H,2-3,6,9H2,1H3,(H,16,18)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using 5'[digoxigenin]-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCA-3' as substrate incubated for 1 hr by E...				Eur J Med Chem 117: 256-68 (2016) BindingDB Entry DOI: 10.7270/Q22V2J1P
					More data for this Ligand-Target Pair