Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 3' and Ligand = 'BDBM50276022'   

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- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50276022 (CHEMBL4126078) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as reduction in [3H]GABA uptake incubated for 10 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113397 BindingDB Entry DOI: 10.7270/Q29S1VTT
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50276022 (CHEMBL4126078) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT4 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition mea...				Bioorg Med Chem 26: 3668-3687 (2018) Article DOI: 10.1016/j.bmc.2018.05.049 BindingDB Entry DOI: 10.7270/Q20004MB
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50276022 (CHEMBL4126078) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Homo sapiens (Human))	BDBM50276022 (CHEMBL4126078) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAT3 expressed in COS-7 cells assessed as reduction in [2H6]GABA uptake preincubated for 25 mins followed by [2H6]GABA addition a...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113397 BindingDB Entry DOI: 10.7270/Q29S1VTT
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50276022 (CHEMBL4126078) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114269 BindingDB Entry DOI: 10.7270/Q2JM2FM0
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50276022 (CHEMBL4126078) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition mea...				Bioorg Med Chem 26: 3668-3687 (2018) Article DOI: 10.1016/j.bmc.2018.05.049 BindingDB Entry DOI: 10.7270/Q20004MB
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50276022 (CHEMBL4126078) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50276022 (CHEMBL4126078) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as reduction in [3H]GABA uptake incubated for 10 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113397 BindingDB Entry DOI: 10.7270/Q29S1VTT
					More data for this Ligand-Target Pair