BDBM50182547 4-(2-pyrrolidin-1-yl-pentanoyl)benzoic acid methyl Ester::CHEMBL201666

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

InChI Key: InChIKey=RUCXEVOCSDADAL-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 = 50182547   

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))	BDBM50182547 (4-(2-pyrrolidin-1-yl-pentanoyl)benzoic acid methyl...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C17H23NO3/c1-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(10-8-13)17(20)21-2/h7-10,15H,3-6,11-12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	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))	BDBM50182547 (4-(2-pyrrolidin-1-yl-pentanoyl)benzoic acid methyl...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C17H23NO3/c1-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(10-8-13)17(20)21-2/h7-10,15H,3-6,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+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))	BDBM50182547 (4-(2-pyrrolidin-1-yl-pentanoyl)benzoic acid methyl...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C17H23NO3/c1-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(10-8-13)17(20)21-2/h7-10,15H,3-6,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.65E+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 serotonin transporter (Homo sapiens (Human))	BDBM50182547 (4-(2-pyrrolidin-1-yl-pentanoyl)benzoic acid methyl...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C17H23NO3/c1-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(10-8-13)17(20)21-2/h7-10,15H,3-6,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+3	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50182547 (4-(2-pyrrolidin-1-yl-pentanoyl)benzoic acid methyl...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C17H23NO3/c1-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(10-8-13)17(20)21-2/h7-10,15H,3-6,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.8	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))	BDBM50182547 (4-(2-pyrrolidin-1-yl-pentanoyl)benzoic acid methyl...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C17H23NO3/c1-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(10-8-13)17(20)21-2/h7-10,15H,3-6,11-12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	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