BDBM50193526 CHEMBL212448::methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-6-methoxy-6-oxohex-1-enyl)-2-methoxy-3-methylbenzoate

SMILES: COC(=O)CCC\C=C(\c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2oc(=O)n(C)c2c1

InChI Key: InChIKey=CGPUDIUUVSBGLW-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 = 50193526   

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)	BDBM50193526 (CHEMBL212448 | methyl 5-(1-(3,7-dimethyl-2-oxo-2,3...) Show SMILES COC(=O)CCC\C=C(\c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2oc(=O)n(C)c2c1 Show InChI InChI=1S/C26H29NO7/c1-15-11-17(13-20(23(15)32-5)25(29)33-6)19(9-7-8-10-22(28)31-4)18-12-16(2)24-21(14-18)27(3)26(30)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	20	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