Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50021897'   

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))	BDBM50021897 (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...) Show SMILES C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to DAT (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021897 (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...) Show SMILES C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair