BDBM50182564 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-ene-1-one::CHEMBL202348

SMILES: Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1

InChI Key: InChIKey=SIFVHGKZPNIKBO-UHFFFAOYSA-N

Data: 3 KI  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 6 hits for monomerid = 50182564   

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))	BDBM50182564 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-en...) Show SMILES Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1 Show InChI InChI=1S/C15H17Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h2,6-7,10,14H,1,3-5,8-9H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.9	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))	BDBM50182564 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-en...) Show SMILES Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1 Show InChI InChI=1S/C15H17Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h2,6-7,10,14H,1,3-5,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	509	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))	BDBM50182564 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-en...) Show SMILES Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1 Show InChI InChI=1S/C15H17Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h2,6-7,10,14H,1,3-5,8-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+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 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 noradrenaline transporter (Homo sapiens (Human))	BDBM50182564 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-en...) Show SMILES Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1 Show InChI InChI=1S/C15H17Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h2,6-7,10,14H,1,3-5,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.9	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H] norepinephrine uptake into 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 dopamine transporter (Homo sapiens (Human))	BDBM50182564 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-en...) Show SMILES Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1 Show InChI InChI=1S/C15H17Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h2,6-7,10,14H,1,3-5,8-9H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.3	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50182564 (1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-en...) Show SMILES Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1 Show InChI InChI=1S/C15H17Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h2,6-7,10,14H,1,3-5,8-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	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