BDBM50485875 CHEMBL2171670

SMILES: COC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O

InChI Key: InChIKey=HJTLTRSQUNLHAL-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 = 50485875   

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)	BDBM50485875 (CHEMBL2171670) Show SMILES COC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C15H13FN2O5/c1-23-15(22)11-13(20)12(19)10(7-17-11)14(21)18-6-8-2-4-9(16)5-3-8/h2-5,7,20H,6H2,1H3,(H,17,19)(H,18,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair