BDBM50193521 (Z)-6-(3-cyanophenyl)-6-(2,3-dihydro-3,7-dimethyl-2-oxobenzoxazol-5-yl)hex-5-enoic acid methyl ester::CHEMBL386338

SMILES: COC(=O)CCC\C=C(\c1cccc(c1)C#N)c1cc(C)c2oc(=O)n(C)c2c1

InChI Key: InChIKey=LRYXYDQZMOLKGO-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 = 50193521   

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)	BDBM50193521 ((Z)-6-(3-cyanophenyl)-6-(2,3-dihydro-3,7-dimethyl-...) Show SMILES COC(=O)CCC\C=C(\c1cccc(c1)C#N)c1cc(C)c2oc(=O)n(C)c2c1 Show InChI InChI=1S/C23H22N2O4/c1-15-11-18(13-20-22(15)29-23(27)25(20)2)19(9-4-5-10-21(26)28-3)17-8-6-7-16(12-17)14-24/h6-9,11-13H,4-5,10H2,1-3H3/b19-9-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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