Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50202398'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50202398 ((RR/SS)-2-[1-(4-chlorophenyl)-3-phenylpropyl]piper...) Show SMILES Clc1ccc(cc1)C(CCc1ccccc1)C1CCCCN1 Show InChI InChI=1S/C20H24ClN/c21-18-12-10-17(11-13-18)19(20-8-4-5-15-22-20)14-9-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20,22H,4-5,8-9,14-15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50202398 ((RR/SS)-2-[1-(4-chlorophenyl)-3-phenylpropyl]piper...) Show SMILES Clc1ccc(cc1)C(CCc1ccccc1)C1CCCCN1 Show InChI InChI=1S/C20H24ClN/c21-18-12-10-17(11-13-18)19(20-8-4-5-15-22-20)14-9-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20,22H,4-5,8-9,14-15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50202398 ((RR/SS)-2-[1-(4-chlorophenyl)-3-phenylpropyl]piper...) Show SMILES Clc1ccc(cc1)C(CCc1ccccc1)C1CCCCN1 Show InChI InChI=1S/C20H24ClN/c21-18-12-10-17(11-13-18)19(20-8-4-5-15-22-20)14-9-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20,22H,4-5,8-9,14-15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50202398 ((RR/SS)-2-[1-(4-chlorophenyl)-3-phenylpropyl]piper...) Show SMILES Clc1ccc(cc1)C(CCc1ccccc1)C1CCCCN1 Show InChI InChI=1S/C20H24ClN/c21-18-12-10-17(11-13-18)19(20-8-4-5-15-22-20)14-9-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20,22H,4-5,8-9,14-15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair