BDBM50182581 2-butylamin-1-yl-1-(3,4-dichlorophenyl)pentan-1-one::CHEMBL205028

SMILES: CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=HYMIOQDNASQILW-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 = 50182581   

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))	BDBM50182581 (2-butylamin-1-yl-1-(3,4-dichlorophenyl)pentan-1-on...) Show SMILES CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-3-5-9-18-14(6-4-2)15(19)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,3-6,9H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	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))	BDBM50182581 (2-butylamin-1-yl-1-(3,4-dichlorophenyl)pentan-1-on...) Show SMILES CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-3-5-9-18-14(6-4-2)15(19)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,3-6,9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+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))	BDBM50182581 (2-butylamin-1-yl-1-(3,4-dichlorophenyl)pentan-1-on...) Show SMILES CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-3-5-9-18-14(6-4-2)15(19)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,3-6,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.08E+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 dopamine transporter (Homo sapiens (Human))	BDBM50182581 (2-butylamin-1-yl-1-(3,4-dichlorophenyl)pentan-1-on...) Show SMILES CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-3-5-9-18-14(6-4-2)15(19)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,3-6,9H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+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 noradrenaline transporter (Homo sapiens (Human))	BDBM50182581 (2-butylamin-1-yl-1-(3,4-dichlorophenyl)pentan-1-on...) Show SMILES CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-3-5-9-18-14(6-4-2)15(19)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,3-6,9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+3	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 serotonin transporter (Homo sapiens (Human))	BDBM50182581 (2-butylamin-1-yl-1-(3,4-dichlorophenyl)pentan-1-on...) Show SMILES CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-3-5-9-18-14(6-4-2)15(19)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,3-6,9H2,1-2H3	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 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