BDBM50261032 CHEMBL4061167

SMILES: C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1ccccc1

InChI Key: InChIKey=CGRBYZMTNJBCOL-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 = 50261032   

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))	BDBM50261032 (CHEMBL4061167) Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1ccccc1 Show InChI InChI=1S/C22H27N5/c1-3-8-19(9-4-1)18-20-12-16-26(17-13-20)14-7-15-27-22(23-24-25-27)21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50261032 (CHEMBL4061167) Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1ccccc1 Show InChI InChI=1S/C22H27N5/c1-3-8-19(9-4-1)18-20-12-16-26(17-13-20)14-7-15-27-22(23-24-25-27)21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+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]-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))	BDBM50261032 (CHEMBL4061167) Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1ccccc1 Show InChI InChI=1S/C22H27N5/c1-3-8-19(9-4-1)18-20-12-16-26(17-13-20)14-7-15-27-22(23-24-25-27)21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.03E+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