Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50099284'   

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 (Rattus norvegicus (rat))	BDBM50099284 (3N-{6-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...) Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H44Cl2N4O2/c1-37-19-15-27(23-7-11-25(33)12-8-23)29(21-37)31(39)35-17-5-3-4-6-18-36-32(40)30-22-38(2)20-16-28(30)24-9-13-26(34)14-10-24/h7-14,27-30H,3-6,15-22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA				J Med Chem 44: 1615-22 (2001) BindingDB Entry DOI: 10.7270/Q2513ZXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099284 (3N-{6-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...) Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H44Cl2N4O2/c1-37-19-15-27(23-7-11-25(33)12-8-23)29(21-37)31(39)35-17-5-3-4-6-18-36-32(40)30-22-38(2)20-16-28(30)24-9-13-26(34)14-10-24/h7-14,27-30H,3-6,15-22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	402	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes				J Med Chem 44: 1615-22 (2001) BindingDB Entry DOI: 10.7270/Q2513ZXB
					More data for this Ligand-Target Pair