BDBM50073151 4-(ammoniomethyl)-2,6-difluorobenzenolate::4-Aminomethyl-2,6-difluoro-phenol::CHEMBL112496

SMILES: NCc1cc(F)c(O)c(F)c1

InChI Key: InChIKey=XIGBWMMDVPCKSD-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50073151   

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-amino-N-butyrate transaminase (Sus scrofa)	BDBM50073151 (4-(ammoniomethyl)-2,6-difluorobenzenolate | 4-Amin...) Show SMILES NCc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description The compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase from pig brain				J Med Chem 42: 329-32 (1999) Article DOI: 10.1021/jm980435l BindingDB Entry DOI: 10.7270/Q25B01M3
					More data for this Ligand-Target Pair
Gamma-amino-N-butyrate transaminase (Sus scrofa)	BDBM50073151 (4-(ammoniomethyl)-2,6-difluorobenzenolate | 4-Amin...) Show SMILES NCc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Competitive inhibition of pig brain GABA aminotransferase by Dixon/Cornish-Bowden plot analysis in presence of GABA				J Med Chem 58: 8315-59 (2015) BindingDB Entry DOI: 10.7270/Q22J6DPZ
					More data for this Ligand-Target Pair
Gamma-amino-N-butyrate transaminase (Homo sapiens (Human))	BDBM50073151 (4-(ammoniomethyl)-2,6-difluorobenzenolate | 4-Amin...) Show SMILES NCc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Competitive inhibition of GABA aminotransferase (unknown origin)				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788
					More data for this Ligand-Target Pair
Gamma-amino-N-butyrate transaminase (Homo sapiens (Human))	BDBM50073151 (4-(ammoniomethyl)-2,6-difluorobenzenolate | 4-Amin...) Show SMILES NCc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Competitive inhibition of GABA aminotransferase				J Med Chem 54: 2529-91 (2011) Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH
					More data for this Ligand-Target Pair
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM50073151 (4-(ammoniomethyl)-2,6-difluorobenzenolate | 4-Amin...) Show SMILES NCc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor in rat brain membranes				Bioorg Med Chem Lett 9: 3093-8 (1999) BindingDB Entry DOI: 10.7270/Q24J0FMT
					More data for this Ligand-Target Pair