null

SMILES: CC(OC(C)(C)C)C#C

InChI Key: InChIKey=FIQFHOBKZSUGLM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027780   

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
Cytochrome P450 2B4 (Oryctolagus cuniculus)	BDBM50027780 (CHEMBL1908229) Show SMILES CC(OC(C)(C)C)C#C Show InChI InChI=1S/C8H14O/c1-6-7(2)9-8(3,4)5/h1,7H,2-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 measured by 7-EFC O-deethylation activity				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Rattus norvegicus (rat))	BDBM50027780 (CHEMBL1908229) Show SMILES CC(OC(C)(C)C)C#C Show InChI InChI=1S/C8H14O/c1-6-7(2)9-8(3,4)5/h1,7H,2-5H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of rabbit cytochrome P450 CYP2E1 measured by 7-EFC O-deethylation activity				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair