BDBM50193519 5-[1-(2,3-dihydro-2,7-dimethyl-3-oxobenzo[d]isoxazol-5-yl)-5-methoxycarbonylpent-1-enyl]-2-methoxy-3-methylbenzoicacid methyl ester::CHEMBL212394

SMILES: COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2on(C)c(=O)c2c1

InChI Key: InChIKey=YWBFTLMWENNZOY-OCKHKDLRSA-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 = 50193519   

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)	BDBM50193519 (5-[1-(2,3-dihydro-2,7-dimethyl-3-oxobenzo[d]isoxaz...) Show SMILES COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2on(C)c(=O)c2c1 Show InChI InChI=1S/C26H29NO7/c1-15-11-18(14-21(23(15)32-5)26(30)33-6)19(9-7-8-10-22(28)31-4)17-12-16(2)24-20(13-17)25(29)27(3)34-24/h9,11-14H,7-8,10H2,1-6H3/b19-9-	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
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer				J Med Chem 49: 5316-23 (2006) Article DOI: 10.1021/jm060449o BindingDB Entry DOI: 10.7270/Q2QV3M5K
					More data for this Ligand-Target Pair