BDBM2944 4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one::Benzoxazinone deriv. 5f::CHEMBL109184

SMILES: CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F

InChI Key: InChIKey=CSRAWQAIDODOJQ-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 = 2944   

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)	BDBM2944 (4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-...) Show SMILES CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C13H9F3N2O4/c1-2-3-6-12(13(14,15)16)9-7-8(18(20)21)4-5-10(9)17-11(19)22-12/h4-5,7H,2H2,1H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	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)	BDBM2944 (4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-...) Show SMILES CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C13H9F3N2O4/c1-2-3-6-12(13(14,15)16)9-7-8(18(20)21)4-5-10(9)17-11(19)22-12/h4-5,7H,2H2,1H3,(H,17,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	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