BDBM50026474 3,3-Dimethyl-butan-1-ol::CHEMBL25029

SMILES: CC(C)(C)CCO

InChI Key: InChIKey=DUXCSEISVMREAX-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50026474   

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
Choline Acetyltransferase (RAT)	BDBM50026474 (3,3-Dimethyl-butan-1-ol | CHEMBL25029) Show SMILES CC(C)(C)CCO Show InChI InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)				J Med Chem 28: 1309-13 (1985) Article DOI: 10.1021/jm00147a033 BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline acetylase (RAT)	BDBM50026474 (3,3-Dimethyl-butan-1-ol | CHEMBL25029) Show SMILES CC(C)(C)CCO Show InChI InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)				J Med Chem 28: 1309-13 (1985) Article DOI: 10.1021/jm00147a033 BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair