Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'gabriela deaciuc' and Initial = 'a'   

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))	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	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]dopamine uptake in rat synaptic vesicle membranes				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320380 (CHEMBL1083434 | cis-4,4'-(2,2'-(-1-methylpiperidin...) Show SMILES CN1[C@@H](CCc2ccnc3ccccc23)CCC[C@H]1CCc1ccnc2ccccc12 |r| Show InChI InChI=1S/C28H31N3/c1-31-23(15-13-21-17-19-29-27-11-4-2-9-25(21)27)7-6-8-24(31)16-14-22-18-20-30-28-12-5-3-10-26(22)28/h2-5,9-12,17-20,23-24H,6-8,13-16H2,1H3/t23-,24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]dopamine uptake in rat synaptic vesicle membranes				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320379 (CHEMBL1083433 | cis-2,2'-(2,2'-(1-methylpiperidine...) Show SMILES CN1[C@@H](CCc2ccc3ccccc3n2)CCC[C@H]1CCc1ccc2ccccc2n1 |r| Show InChI InChI=1S/C28H31N3/c1-31-25(19-17-23-15-13-21-7-2-4-11-27(21)29-23)9-6-10-26(31)20-18-24-16-14-22-8-3-5-12-28(22)30-24/h2-5,7-8,11-16,25-26H,6,9-10,17-20H2,1H3/t25-,26+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]dopamine uptake in rat synaptic vesicle membranes				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320379 (CHEMBL1083433 | cis-2,2'-(2,2'-(1-methylpiperidine...) Show SMILES CN1[C@@H](CCc2ccc3ccccc3n2)CCC[C@H]1CCc1ccc2ccccc2n1 |r| Show InChI InChI=1S/C28H31N3/c1-31-25(19-17-23-15-13-21-7-2-4-11-27(21)29-23)9-6-10-26(31)20-18-24-16-14-22-8-3-5-12-28(22)30-24/h2-5,7-8,11-16,25-26H,6,9-10,17-20H2,1H3/t25-,26+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]DTBZ from VMAT2 in rat synaptic vesicle membranes after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					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	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]DTBZ from VMAT2 in rat synaptic vesicle membranes after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320381 (CHEMBL1083435 | cis-3,3'-(2,2'-(1-methylpiperidine...) Show SMILES CN1[C@@H](CCc2c[nH]c3ccccc23)CCC[C@H]1CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C26H31N3/c1-29-21(15-13-19-17-27-25-11-4-2-9-23(19)25)7-6-8-22(29)16-14-20-18-28-26-12-5-3-10-24(20)26/h2-5,9-12,17-18,21-22,27-28H,6-8,13-16H2,1H3/t21-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]dopamine uptake in rat synaptic vesicle membranes				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320380 (CHEMBL1083434 | cis-4,4'-(2,2'-(-1-methylpiperidin...) Show SMILES CN1[C@@H](CCc2ccnc3ccccc23)CCC[C@H]1CCc1ccnc2ccccc12 |r| Show InChI InChI=1S/C28H31N3/c1-31-23(15-13-21-17-19-29-27-11-4-2-9-25(21)27)7-6-8-24(31)16-14-22-18-20-30-28-12-5-3-10-26(22)28/h2-5,9-12,17-20,23-24H,6-8,13-16H2,1H3/t23-,24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]DTBZ from VMAT2 in rat synaptic vesicle membranes after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320383 (CHEMBL1085812 | cis-3,3'-(2,2'-(1-methylpiperidine...) Show SMILES CN1[C@@H](CCc2cccnc2)CCC[C@H]1CCc1cccnc1 |r| Show InChI InChI=1S/C20H27N3/c1-23-19(11-9-17-5-3-13-21-15-17)7-2-8-20(23)12-10-18-6-4-14-22-16-18/h3-6,13-16,19-20H,2,7-12H2,1H3/t19-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]dopamine uptake in rat synaptic vesicle membranes				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320384 (CHEMBL1084838 | cis-4,4'-(2,2'-(1-methylpiperidine...) Show SMILES CN1[C@@H](CCc2ccncc2)CCC[C@H]1CCc1ccncc1 |r| Show InChI InChI=1S/C20H27N3/c1-23-19(7-5-17-9-13-21-14-10-17)3-2-4-20(23)8-6-18-11-15-22-16-12-18/h9-16,19-20H,2-8H2,1H3/t19-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]dopamine uptake in rat synaptic vesicle membranes				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320384 (CHEMBL1084838 | cis-4,4'-(2,2'-(1-methylpiperidine...) Show SMILES CN1[C@@H](CCc2ccncc2)CCC[C@H]1CCc1ccncc1 |r| Show InChI InChI=1S/C20H27N3/c1-23-19(7-5-17-9-13-21-14-10-17)3-2-4-20(23)8-6-18-11-15-22-16-12-18/h9-16,19-20H,2-8H2,1H3/t19-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]DTBZ from VMAT2 in rat synaptic vesicle membranes after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320381 (CHEMBL1083435 | cis-3,3'-(2,2'-(1-methylpiperidine...) Show SMILES CN1[C@@H](CCc2c[nH]c3ccccc23)CCC[C@H]1CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C26H31N3/c1-29-21(15-13-19-17-27-25-11-4-2-9-23(19)25)7-6-8-22(29)16-14-20-18-28-26-12-5-3-10-24(20)26/h2-5,9-12,17-18,21-22,27-28H,6-8,13-16H2,1H3/t21-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]DTBZ from VMAT2 in rat synaptic vesicle membranes after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50320383 (CHEMBL1085812 | cis-3,3'-(2,2'-(1-methylpiperidine...) Show SMILES CN1[C@@H](CCc2cccnc2)CCC[C@H]1CCc1cccnc1 |r| Show InChI InChI=1S/C20H27N3/c1-23-19(11-9-17-5-3-13-21-15-17)7-2-8-20(23)12-10-18-6-4-14-22-16-18/h3-6,13-16,19-20H,2,7-12H2,1H3/t19-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]DTBZ from VMAT2 in rat synaptic vesicle membranes after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 20: 3584-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.117 BindingDB Entry DOI: 10.7270/Q2N879Z6
					More data for this Ligand-Target Pair