BDBM50085901 CHEMBL368346::Hexanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester

SMILES: CCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1

InChI Key: InChIKey=BWJOJZPMFILAAD-YVLHZVERSA-N

Data: 1 KI

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 = 50085901   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50085901 (CHEMBL368346 | Hexanoic acid 2-hydroxymethyl-4-(3-...) Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1 Show InChI InChI=1S/C21H36O5/c1-6-7-8-9-19(23)25-14-21(13-22)12-17(20(24)26-21)10-11-18(15(2)3)16(4)5/h10,15-16,18,22H,6-9,11-14H2,1-5H3/b17-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding Affinity against protein kinase C alpha				J Med Chem 43: 921-44 (2000) BindingDB Entry DOI: 10.7270/Q2RN372X
					More data for this Ligand-Target Pair