BDBM50078167 CHEMBL69064

SMILES: [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-1

InChI Key: InChIKey=SJJUKGVRGZOKFH-MRXNPFEDSA-N

Data: 2 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 2 hits for monomerid = 50078167   

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
Sodium- and chloride-dependent betaine transporter (Rattus norvegicus)	BDBM50078167 (CHEMBL69064) Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-1 Show InChI InChI=1S/C22H23NO2/c24-22(25)16-7-5-13-23(15-16)14-6-12-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-12,16H,5-7,13-15H2,(H,24,25)/t16-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake in rat synaptosomes was determined				J Med Chem 44: 2152-63 (2001) Article DOI: 10.1021/jm990513k BindingDB Entry DOI: 10.7270/Q2RB77BX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50078167 (CHEMBL69064) Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-1 Show InChI InChI=1S/C22H23NO2/c24-22(25)16-7-5-13-23(15-16)14-6-12-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-12,16H,5-7,13-15H2,(H,24,25)/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting				J Med Chem 58: 2149-58 (2015) Article DOI: 10.1021/jm5015428 BindingDB Entry DOI: 10.7270/Q2D50PNV
					More data for this Ligand-Target Pair