BDBM50261045 CHEMBL4094228

SMILES: Brc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=SOOYOGDWTNFZBD-UHFFFAOYSA-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 = 50261045   

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))	BDBM50261045 (CHEMBL4094228) Show SMILES Brc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H26BrN5/c23-21-10-5-4-9-20(21)22-24-25-26-28(22)14-6-13-27-15-11-19(12-16-27)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-DA at human DAT expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50261045 (CHEMBL4094228) Show SMILES Brc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H26BrN5/c23-21-10-5-4-9-20(21)22-24-25-26-28(22)14-6-13-27-15-11-19(12-16-27)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-NE at human NET expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50261045 (CHEMBL4094228) Show SMILES Brc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H26BrN5/c23-21-10-5-4-9-20(21)22-24-25-26-28(22)14-6-13-27-15-11-19(12-16-27)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
					More data for this Ligand-Target Pair