BDBM50182579 CHEMBL379679::N-[4-(2-pyrrolidin-1-yl-pentanoyl)phenyl]acetamide::N-[4-(2-pyrrolidin-1-yl-pentanoyl)phenylacetamide

SMILES: CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1

InChI Key: InChIKey=DSIUMNNVBQZCEG-UHFFFAOYSA-N

Data: 3 KI  8 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 11 hits for monomerid = 50182579   

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))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.2	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))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+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 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))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt 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 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
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5HT1B				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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine D3				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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL 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
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5HT1A				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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine D1				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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5HT1C				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))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67.9	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	317	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50182579 (CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine D2				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