Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Synaptic vesicular amine transporter' and Ligand = 'BDBM50459618'   

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
Synaptic vesicular amine transporter (Homo sapiens (Human))	BDBM50459618 (CHEMBL4216117) Show SMILES CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H29N3O4/c1-3-32-24(30)21-16-27(13-12-19(21)18-10-8-17(2)9-11-18)14-15-28-23(29)20-6-4-5-7-22(20)26-25(28)31/h4-11,19,21H,3,12-16H2,1-2H3,(H,26,31)/t19-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	452	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 [3H](+)-syn-Ethyl 1-(2-(2,4-Dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(4-fluorophenyl)piperidine-3-carboxylate from human VMAT2 e...				J Med Chem 61: 9121-9131 (2018) Article DOI: 10.1021/acs.jmedchem.8b00542 BindingDB Entry DOI: 10.7270/Q2KH0QZ9
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Homo sapiens (Human))	BDBM50459618 (CHEMBL4216117) Show SMILES CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H29N3O4/c1-3-32-24(30)21-16-27(13-12-19(21)18-10-8-17(2)9-11-18)14-15-28-23(29)20-6-4-5-7-22(20)26-25(28)31/h4-11,19,21H,3,12-16H2,1-2H3,(H,26,31)/t19-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>9.10E+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 [3H]DHTB from human VMAT2 expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting method				J Med Chem 61: 9121-9131 (2018) Article DOI: 10.1021/acs.jmedchem.8b00542 BindingDB Entry DOI: 10.7270/Q2KH0QZ9
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Homo sapiens (Human))	BDBM50459618 (CHEMBL4216117) Show SMILES CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H29N3O4/c1-3-32-24(30)21-16-27(13-12-19(21)18-10-8-17(2)9-11-18)14-15-28-23(29)20-6-4-5-7-22(20)26-25(28)31/h4-11,19,21H,3,12-16H2,1-2H3,(H,26,31)/t19-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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 [3H]reserpine from human VMAT2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				J Med Chem 61: 9121-9131 (2018) Article DOI: 10.1021/acs.jmedchem.8b00542 BindingDB Entry DOI: 10.7270/Q2KH0QZ9
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Homo sapiens (Human))	BDBM50459618 (CHEMBL4216117) Show SMILES CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H29N3O4/c1-3-32-24(30)21-16-27(13-12-19(21)18-10-8-17(2)9-11-18)14-15-28-23(29)20-6-4-5-7-22(20)26-25(28)31/h4-11,19,21H,3,12-16H2,1-2H3,(H,26,31)/t19-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of human VMAT2 expressed in HEK293 cell membranes assessed as reduction in [3H[-5HT uptake pre-incubated for 10 mins before [3H[-5HT addit...				J Med Chem 61: 9121-9131 (2018) Article DOI: 10.1021/acs.jmedchem.8b00542 BindingDB Entry DOI: 10.7270/Q2KH0QZ9
					More data for this Ligand-Target Pair