BDBM50520001 CHEMBL4473574

SMILES: [O-][S@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1

InChI Key: InChIKey=AULDNIRJFAYHPL-VGOFRKELSA-N

Data: 3 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 3 hits for monomerid = 50520001   

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 dopamine transporter (Homo sapiens (Human))	BDBM50520001 (CHEMBL4473574) Show SMILES [O-][S@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...				J Med Chem 63: 391-417 (2020) Article DOI: 10.1021/acs.jmedchem.9b01938
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50520001 (CHEMBL4473574) Show SMILES [O-][S@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of wild type human SERT expressed in HEK293 cells assessed as inhibition of [3H]-5HT reuptake preincubated for 5 mins followed by [3H]5HT ...				J Med Chem 63: 391-417 (2020) Article DOI: 10.1021/acs.jmedchem.9b01938
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50520001 (CHEMBL4473574) Show SMILES [O-][S@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of wild type human NET expressed in HEK293 cells assessed as inhibition of [3H]-MPP+ reuptake preincubated for 5 mins followed by [3H]MPP+...				J Med Chem 63: 391-417 (2020) Article DOI: 10.1021/acs.jmedchem.9b01938
					More data for this Ligand-Target Pair