BDBM50228442 4-(2-aminophenylthio)-3-((dimethylamino)methyl)phenol::CHEMBL241228

SMILES: CN(C)Cc1cc(O)ccc1Sc1ccccc1N

InChI Key: InChIKey=WTZRMYOBIYKNQJ-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 = 50228442   

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))	BDBM50228442 (4-(2-aminophenylthio)-3-((dimethylamino)methyl)phe...) Show SMILES CN(C)Cc1cc(O)ccc1Sc1ccccc1N Show InChI InChI=1S/C15H18N2OS/c1-17(2)10-11-9-12(18)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,10,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50228442 (4-(2-aminophenylthio)-3-((dimethylamino)methyl)phe...) Show SMILES CN(C)Cc1cc(O)ccc1Sc1ccccc1N Show InChI InChI=1S/C15H18N2OS/c1-17(2)10-11-9-12(18)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,10,16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]-iodonisoxetine from NET expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50228442 (4-(2-aminophenylthio)-3-((dimethylamino)methyl)phe...) Show SMILES CN(C)Cc1cc(O)ccc1Sc1ccccc1N Show InChI InChI=1S/C15H18N2OS/c1-17(2)10-11-9-12(18)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,10,16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]N-(3'-iodopropen-2'yl)-2-beta-carbomethoxy-3-beta-(4-chlorophenyl)tropane from DAT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair