BDBM50009724 CHEMBL3245268

SMILES: OCc1cnc(C#C)c(O)c1CO

InChI Key: InChIKey=BNTNCBMAUUUODG-UHFFFAOYSA-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 = 50009724   

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
Pyridoxal kinase (Homo sapiens (Human))	BDBM50009724 (CHEMBL3245268) Show SMILES OCc1cnc(C#C)c(O)c1CO Show InChI InChI=1S/C9H9NO3/c1-2-8-9(13)7(5-12)6(4-11)3-10-8/h1,3,11-13H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of pyridoxal phosphokinase (unknown origin)				J Med Chem 20: 745-9 (1977) BindingDB Entry DOI: 10.7270/Q2M90B5P
					More data for this Ligand-Target Pair