Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50236726'   

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))	BDBM50236726 (CHEMBL4092411) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C18H16ClN5O5S/c1-20-15-11-16(23-10(22-15)6-4-8-3-5-9(19)30-8)24(7-21-11)17-13(26)12(25)14(29-17)18(27)28-2/h3,5,7,12-14,17,25-26H,1-2H3,(H,20,22,23)/t12-,13+,14-,17+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	396	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vitro binding affinity to displace [3H]-spiperone from the cloned human dopamine receptor D2 short in CHO cells				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50236726 (CHEMBL4092411) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C18H16ClN5O5S/c1-20-15-11-16(23-10(22-15)6-4-8-3-5-9(19)30-8)24(7-21-11)17-13(26)12(25)14(29-17)18(27)28-2/h3,5,7,12-14,17,25-26H,1-2H3,(H,20,22,23)/t12-,13+,14-,17+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	127	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Enhancing of [125I]RTI-55 binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50236726 (CHEMBL4092411) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C18H16ClN5O5S/c1-20-15-11-16(23-10(22-15)6-4-8-3-5-9(19)30-8)24(7-21-11)17-13(26)12(25)14(29-17)18(27)28-2/h3,5,7,12-14,17,25-26H,1-2H3,(H,20,22,23)/t12-,13+,14-,17+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair