BDBM50008027 CHEMBL3234384

SMILES: CN(CCC([O-])=O)[N+](C)(C)C

InChI Key: InChIKey=NXHYIEABELXCMM-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50008027   

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
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008027 (CHEMBL3234384) Show SMILES CN(CCC([O-])=O)[N+](C)(C)C Show InChI InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Binding affinity to purified human BBOX by isothermal titration calorimetry analysis				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008027 (CHEMBL3234384) Show SMILES CN(CCC([O-])=O)[N+](C)(C)C Show InChI InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair