Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50047278   

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 (Rattus norvegicus (Rat))	BDBM50433783 (CHEMBL2381721) Show SMILES COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 |r| Show InChI InChI=1S/C26H37NO4/c1-30-25-14-8-20(9-15-25)6-12-22-4-3-5-23(27(22)18-24(29)19-28)13-7-21-10-16-26(31-2)17-11-21/h8-11,14-17,22-24,28-29H,3-7,12-13,18-19H2,1-2H3/t22-,23+,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157190 (CHEMBL3793321) Show SMILES Cl.Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(O)cc3)N2)cc1 |r| Show InChI InChI=1S/C21H27NO2.ClH/c23-20-12-6-16(7-13-20)4-10-18-2-1-3-19(22-18)11-5-17-8-14-21(24)15-9-17;/h6-9,12-15,18-19,22-24H,1-5,10-11H2;1H/t18-,19+;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157301 (CHEMBL3792786) Show SMILES Cl.CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1 |r| Show InChI InChI=1S/C24H32FNO2.ClH/c1-26-21(11-5-19-7-13-23(27)14-8-19)3-2-4-22(26)12-6-20-9-15-24(16-10-20)28-18-17-25;/h7-10,13-16,21-22,27H,2-6,11-12,17-18H2,1H3;1H/t21-,22+;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157199 (CHEMBL3793860) Show SMILES Cl.Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1 |r| Show InChI InChI=1S/C23H30FNO2.ClH/c24-16-17-27-23-14-8-19(9-15-23)5-11-21-3-1-2-20(25-21)10-4-18-6-12-22(26)13-7-18;/h6-9,12-15,20-21,25-26H,1-5,10-11,16-17H2;1H/t20-,21+;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157191 (CHEMBL3793365) Show SMILES Cl.OC[C@H](O)CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1 |r| Show InChI InChI=1S/C24H33NO4.ClH/c26-17-24(29)16-25-20(10-4-18-6-12-22(27)13-7-18)2-1-3-21(25)11-5-19-8-14-23(28)15-9-19;/h6-9,12-15,20-21,24,26-29H,1-5,10-11,16-17H2;1H/t20-,21+,24-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157214 (CHEMBL3793720) Show SMILES Cl.FCCOc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1 |r| Show InChI InChI=1S/C25H33F2NO2.ClH/c26-16-18-29-24-12-6-20(7-13-24)4-10-22-2-1-3-23(28-22)11-5-21-8-14-25(15-9-21)30-19-17-27;/h6-9,12-15,22-23,28H,1-5,10-11,16-19H2;1H/t22-,23+;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157154 (CHEMBL3793401) Show SMILES Cl.CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1 |r| Show InChI InChI=1S/C22H29NO2.ClH/c1-23-19(11-5-17-7-13-21(24)14-8-17)3-2-4-20(23)12-6-18-9-15-22(25)16-10-18;/h7-10,13-16,19-20,24-25H,2-6,11-12H2,1H3;1H/t19-,20+;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50080827 ((2R,6S)-1-Methyl-2,6-diphenethyl-piperidine | (2S,...) Show SMILES CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157153 (CHEMBL3793722) Show SMILES Cl.CN1[C@@H](CCc2ccc(OC(C)=O)cc2)CCC[C@H]1CCc1ccc(OC(C)=O)cc1 |r| Show InChI InChI=1S/C26H33NO4.ClH/c1-19(28)30-25-15-9-21(10-16-25)7-13-23-5-4-6-24(27(23)3)14-8-22-11-17-26(18-12-22)31-20(2)29;/h9-12,15-18,23-24H,4-8,13-14H2,1-3H3;1H/t23-,24+;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157302 (CHEMBL3792927) Show SMILES Cl.CN1[C@@H](CCc2ccc(OCCF)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1 |r| Show InChI InChI=1S/C26H35F2NO2.ClH/c1-29-23(11-5-21-7-13-25(14-8-21)30-19-17-27)3-2-4-24(29)12-6-22-9-15-26(16-10-22)31-20-18-28;/h7-10,13-16,23-24H,2-6,11-12,17-20H2,1H3;1H/t23-,24+;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50157071 (CHEMBL3793895) Show SMILES Cl.CC(=O)Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC(C)=O)cc3)N2)cc1 |r| Show InChI InChI=1S/C25H31NO4.ClH/c1-18(27)29-24-14-8-20(9-15-24)6-12-22-4-3-5-23(26-22)13-7-21-10-16-25(17-11-21)30-19(2)28;/h8-11,14-17,22-23,26H,3-7,12-13H2,1-2H3;1H/t22-,23+;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.119 BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair