BDBM50182582 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-methylpentan-1-one::CHEMBL201977

SMILES: CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=MEMCHWOZQTXCNY-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50182582   

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))	BDBM50182582 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-methylpen...) Show SMILES CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H21Cl2NO/c1-2-5-13(11-19-8-3-4-9-19)16(20)12-6-7-14(17)15(18)10-12/h6-7,10,13H,2-5,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				J Med Chem 49: 1420-32 (2006) Article DOI: 10.1021/jm050797a BindingDB Entry DOI: 10.7270/Q2KK9CKB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50182582 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-methylpen...) Show SMILES CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H21Cl2NO/c1-2-5-13(11-19-8-3-4-9-19)16(20)12-6-7-14(17)15(18)10-12/h6-7,10,13H,2-5,8-9,11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells				J Med Chem 49: 1420-32 (2006) Article DOI: 10.1021/jm050797a BindingDB Entry DOI: 10.7270/Q2KK9CKB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50182582 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-methylpen...) Show SMILES CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H21Cl2NO/c1-2-5-13(11-19-8-3-4-9-19)16(20)12-6-7-14(17)15(18)10-12/h6-7,10,13H,2-5,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells				J Med Chem 49: 1420-32 (2006) Article DOI: 10.1021/jm050797a BindingDB Entry DOI: 10.7270/Q2KK9CKB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50182582 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-methylpen...) Show SMILES CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H21Cl2NO/c1-2-5-13(11-19-8-3-4-9-19)16(20)12-6-7-14(17)15(18)10-12/h6-7,10,13H,2-5,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H] serotonin uptake into human SERT expressed in HEK293 cells				J Med Chem 49: 1420-32 (2006) Article DOI: 10.1021/jm050797a BindingDB Entry DOI: 10.7270/Q2KK9CKB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50182582 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-methylpen...) Show SMILES CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H21Cl2NO/c1-2-5-13(11-19-8-3-4-9-19)16(20)12-6-7-14(17)15(18)10-12/h6-7,10,13H,2-5,8-9,11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H] dopamine uptake into human DAT expressed in HEK293 cells				J Med Chem 49: 1420-32 (2006) Article DOI: 10.1021/jm050797a BindingDB Entry DOI: 10.7270/Q2KK9CKB
					More data for this Ligand-Target Pair