BDBM50230708 CHEMBL253184::N,N-dimethyl-2-(2'-amino-4'-hydroxymethyl-phenylthio)-5-bromobenzylamine

SMILES: CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N

InChI Key: InChIKey=SZIXMPCDFZGATL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50230708   

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-dependent serotonin transporter (Homo sapiens (Human))	BDBM50230708 (CHEMBL253184 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H19BrN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				J Med Chem 51: 271-81 (2008) Article DOI: 10.1021/jm0707929 BindingDB Entry DOI: 10.7270/Q23778G6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50230708 (CHEMBL253184 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H19BrN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in MDCK cells				J Med Chem 51: 271-81 (2008) Article DOI: 10.1021/jm0707929 BindingDB Entry DOI: 10.7270/Q23778G6
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50230708 (CHEMBL253184 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H19BrN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	725	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET t expressed in HEK293 cells				J Med Chem 51: 271-81 (2008) Article DOI: 10.1021/jm0707929 BindingDB Entry DOI: 10.7270/Q23778G6
					More data for this Ligand-Target Pair