BDBM50182559 1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1-one::CHEMBL202846

SMILES: CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=KKTUFJIEHNEGDF-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 = 50182559   

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))	BDBM50182559 (1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H21NO3/c1-2-5-12(16-8-3-4-9-16)15(19)11-6-7-13(17)14(18)10-11/h6-7,10,12,17-18H,2-5,8-9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	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))	BDBM50182559 (1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H21NO3/c1-2-5-12(16-8-3-4-9-16)15(19)11-6-7-13(17)14(18)10-11/h6-7,10,12,17-18H,2-5,8-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	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))	BDBM50182559 (1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H21NO3/c1-2-5-12(16-8-3-4-9-16)15(19)11-6-7-13(17)14(18)10-11/h6-7,10,12,17-18H,2-5,8-9H2,1H3	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50182559 (1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H21NO3/c1-2-5-12(16-8-3-4-9-16)15(19)11-6-7-13(17)14(18)10-11/h6-7,10,12,17-18H,2-5,8-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	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))	BDBM50182559 (1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H21NO3/c1-2-5-12(16-8-3-4-9-16)15(19)11-6-7-13(17)14(18)10-11/h6-7,10,12,17-18H,2-5,8-9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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