BDBM150803 2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)phenyl)ethanol (8)

SMILES: Cc1ncc(Cc2cccc(CCO)c2)c(N)n1

InChI Key: InChIKey=CLAXVJRRXGSGJP-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 150803   

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
Thiamine transporter (ThiT) (Lactococcus lactis (Firmicutes))	BDBM150803 (2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)pheny...) Show SMILES Cc1ncc(Cc2cccc(CCO)c2)c(N)n1 Show InChI InChI=1S/C14H17N3O/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-18/h2-4,7,9,18H,5-6,8H2,1H3,(H2,15,16,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	528	n/a	n/a	n/a	n/a	n/a
University of Groningen					Assay Description Purified ThiT was diluted in buffer E to a concentration of ~50 nM in a final volume of 800 µL. The substrates were added in 1 µL steps. Using an exc...				Chembiochem 16: 819-26 (2015) Article DOI: 10.1002/cbic.201402673 BindingDB Entry DOI: 10.7270/Q25D8QJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)