BDBM50173808 (E)-6-(3-Cyano-phenyl)-6-(3-methoxy-7-methyl-benzo[d]isoxazol-5-yl)-hex-5-enoic acid methyl ester::CHEMBL198201

SMILES: COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(C)c2onc(OC)c2c1

InChI Key: InChIKey=SQECLTZZWKGLSY-DJKKODMXSA-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 = 50173808   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50173808 ((E)-6-(3-Cyano-phenyl)-6-(3-methoxy-7-methyl-benzo...) Show SMILES COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(C)c2onc(OC)c2c1 Show InChI InChI=1S/C23H22N2O4/c1-15-11-18(13-20-22(15)29-25-23(20)28-3)19(9-4-5-10-21(26)27-2)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	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 reverse transcriptase activity				J Med Chem 48: 6140-55 (2005) Article DOI: 10.1021/jm050452s BindingDB Entry DOI: 10.7270/Q2TB16F6
					More data for this Ligand-Target Pair