BDBM50202396 (RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine::(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine::CHEMBL219649

SMILES: CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=USGRALLMTYXJMV-UHFFFAOYSA-N

Data: 6 KI  6 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 12 hits for monomerid = 50202396   

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))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human NET expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human NET expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake into human NET expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50202396 ((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...) Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake into human NET expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair