BindingDB PrimarySearch

BDBM50182563 1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one::CHEMBL379446

SMILES: CCCC(N1CCCC1)C(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=NAHZCGQMXZCULW-UHFFFAOYSA-N

Data: 3 KI 9 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50182563
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.46E+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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.69E+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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	531	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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50182563 (1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one \|...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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
Organix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair