BDBM2953 Benzoxazinone deriv. 8a::CHEMBL111492::N-[4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-6-yl]acetamide

SMILES: CC(=O)Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F

InChI Key: InChIKey=GEXMVGJMVKSGDP-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 = 2953   

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 reverse transcriptase (Human immunodeficiency virus 1)	BDBM2953 (Benzoxazinone deriv. 8a | CHEMBL111492 | N-[4-(2-c...) Show SMILES CC(=O)Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F Show InChI InChI=1S/C16H13F3N2O3/c1-9(22)20-11-4-5-13-12(8-11)15(16(17,18)19,24-14(23)21-13)7-6-10-2-3-10/h4-5,8,10H,2-3H2,1H3,(H,20,22)(H,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
S.G.S.I.T.S. Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				Bioorg Med Chem Lett 14: 6089-94 (2004) Article DOI: 10.1016/j.bmcl.2004.09.068 BindingDB Entry DOI: 10.7270/Q2XS5TVZ
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2953 (Benzoxazinone deriv. 8a | CHEMBL111492 | N-[4-(2-c...) Show SMILES CC(=O)Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F Show InChI InChI=1S/C16H13F3N2O3/c1-9(22)20-11-4-5-13-12(8-11)15(16(17,18)19,24-14(23)21-13)7-6-10-2-3-10/h4-5,8,10H,2-3H2,1H3,(H,20,22)(H,21,23)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem Lett 9: 3221-4 (1999) Article DOI: 10.1016/s0960-894x(99)00565-x BindingDB Entry DOI: 10.7270/Q2WH2N65
					More data for this Ligand-Target Pair