BDBM50045103 CHEMBL3309905

SMILES: CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O

InChI Key: InChIKey=SIDXJUHOOIRQED-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045103   

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)	BDBM50045103 (CHEMBL3309905) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O Show InChI InChI=1S/C21H21FN4O4/c1-23-20(29)17-19(28)18-15(26(21(17)30)11-16(27)25(2)3)9-13(10-24-18)8-12-4-6-14(22)7-5-12/h4-7,9-10,28H,8,11H2,1-3H3,(H,23,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair