Compile Data Set for Download or QSAR

Found 6 hits of kd for UniProtKB: P30531   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 100 nM preinc...				J Med Chem 61: 10310-10332 (2018) Article DOI: 10.1021/acs.jmedchem.8b01602 BindingDB Entry DOI: 10.7270/Q2NS0Z8M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50518146 (CHEMBL4525620) Show SMILES OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C22H23N3O3/c26-22(27)17-10-15(11-23-13-17)12-24-25-14-18-8-9-21(28-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,17,23-24H,10-13H2,(H,26,27)/b25-14+/t15-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Non-competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 1 uM prei...				J Med Chem 61: 10310-10332 (2018) Article DOI: 10.1021/acs.jmedchem.8b01602 BindingDB Entry DOI: 10.7270/Q2NS0Z8M
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50518149 (CHEMBL4537310) Show SMILES OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1 |r| Show InChI InChI=1S/C20H19F6N3O3/c21-19(22,23)14-4-12(5-15(6-14)20(24,25)26)17-2-1-16(32-17)10-29-28-8-11-3-13(18(30)31)9-27-7-11/h1-2,4-6,10-11,13,27-28H,3,7-9H2,(H,30,31)/b29-10+/t11-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Non-competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 1 uM prei...				J Med Chem 61: 10310-10332 (2018) Article DOI: 10.1021/acs.jmedchem.8b01602 BindingDB Entry DOI: 10.7270/Q2NS0Z8M
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50518146 (CHEMBL4525620) Show SMILES OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C22H23N3O3/c26-22(27)17-10-15(11-23-13-17)12-24-25-14-18-8-9-21(28-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,17,23-24H,10-13H2,(H,26,27)/b25-14+/t15-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Non-competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 10 uM pre...				J Med Chem 61: 10310-10332 (2018) Article DOI: 10.1021/acs.jmedchem.8b01602 BindingDB Entry DOI: 10.7270/Q2NS0Z8M
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 1 uM preincub...				J Med Chem 61: 10310-10332 (2018) Article DOI: 10.1021/acs.jmedchem.8b01602 BindingDB Entry DOI: 10.7270/Q2NS0Z8M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50518149 (CHEMBL4537310) Show SMILES OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1 |r| Show InChI InChI=1S/C20H19F6N3O3/c21-19(22,23)14-4-12(5-15(6-14)20(24,25)26)17-2-1-16(32-17)10-29-28-8-11-3-13(18(30)31)9-27-7-11/h1-2,4-6,10-11,13,27-28H,3,7-9H2,(H,30,31)/b29-10+/t11-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Non-competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 10 uM pre...				J Med Chem 61: 10310-10332 (2018) Article DOI: 10.1021/acs.jmedchem.8b01602 BindingDB Entry DOI: 10.7270/Q2NS0Z8M
					More data for this Ligand-Target Pair