Compile Data Set for Download or QSAR

Found 221 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 13 member 5'   

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
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149291 (CHEMBL3770609) Show SMILES CCOc1ncccc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149290 (CHEMBL3771175) Show SMILES CCOc1ncccc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149290 (CHEMBL3771175) Show SMILES CCOc1ncccc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149291 (CHEMBL3770609) Show SMILES CCOc1ncccc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Rattus norvegicus)	BDBM50149244 (CHEMBL3771118) Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in rat hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Rattus norvegicus)	BDBM50149244 (CHEMBL3771118) Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in rat hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149289 (CHEMBL3770497) Show SMILES CCOc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C14H19NO6/c1-3-21-12-10(6-9(2)8-15-12)4-5-14(20,13(18)19)7-11(16)17/h6,8,20H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149289 (CHEMBL3770497) Show SMILES CCOc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C14H19NO6/c1-3-21-12-10(6-9(2)8-15-12)4-5-14(20,13(18)19)7-11(16)17/h6,8,20H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Mus musculus)	BDBM50149244 (CHEMBL3771118) Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in mouse hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Mus musculus)	BDBM50149244 (CHEMBL3771118) Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in mouse hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149293 (CHEMBL3770675) Show SMILES CC(C)Oc1ncccc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C14H19NO6/c1-9(2)21-12-10(4-3-7-15-12)5-6-14(20,13(18)19)8-11(16)17/h3-4,7,9,20H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149291 (CHEMBL3770609) Show SMILES CCOc1ncccc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149291 (CHEMBL3770609) Show SMILES CCOc1ncccc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149293 (CHEMBL3770675) Show SMILES CC(C)Oc1ncccc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C14H19NO6/c1-9(2)21-12-10(4-3-7-15-12)5-6-14(20,13(18)19)8-11(16)17/h3-4,7,9,20H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149244 (CHEMBL3771118) Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149294 (CHEMBL3769578) Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149294 (CHEMBL3769578) Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149244 (CHEMBL3771118) Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149236 (CHEMBL3770370) Show SMILES COc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149236 (CHEMBL3770370) Show SMILES COc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149244 (CHEMBL3771118) Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149215 (CHEMBL3769514) Show SMILES CC(C)(C)c1ccc(CCC(O)(CC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149244 (CHEMBL3771118) Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149215 (CHEMBL3769514) Show SMILES CC(C)(C)c1ccc(CCC(O)(CC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149233 (CHEMBL3769911) Show SMILES COc1ccc(C)cc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C14H18O6/c1-9-3-4-11(20-2)10(7-9)5-6-14(19,13(17)18)8-12(15)16/h3-4,7,19H,5-6,8H2,1-2H3,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149233 (CHEMBL3769911) Show SMILES COc1ccc(C)cc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C14H18O6/c1-9-3-4-11(20-2)10(7-9)5-6-14(19,13(17)18)8-12(15)16/h3-4,7,19H,5-6,8H2,1-2H3,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149247 (CHEMBL3769766) Show SMILES COc1ncccc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C12H15NO6/c1-19-10-8(3-2-6-13-10)4-5-12(18,11(16)17)7-9(14)15/h2-3,6,18H,4-5,7H2,1H3,(H,14,15)(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149247 (CHEMBL3769766) Show SMILES COc1ncccc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C12H15NO6/c1-19-10-8(3-2-6-13-10)4-5-12(18,11(16)17)7-9(14)15/h2-3,6,18H,4-5,7H2,1H3,(H,14,15)(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149294 (CHEMBL3769578) Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149294 (CHEMBL3769578) Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149223 (CHEMBL3770439) Show SMILES OC(=O)CC(O)(CCc1ccccc1)C(O)=O Show InChI InChI=1S/C12H14O5/c13-10(14)8-12(17,11(15)16)7-6-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149246 (CHEMBL3769920) Show SMILES COc1ncc(C)cc1CC[C@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149292 (CHEMBL3771155) Show SMILES CCOc1ncccc1CC[C@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149292 (CHEMBL3771155) Show SMILES CCOc1ncccc1CC[C@](O)(CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method				J Med Chem 59: 1165-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01752 BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610865 (US10626095, Example 646) Show SMILES Cc1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(C=O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610866 (US10626095, Example 649) Show SMILES COC12CC3CC(CC(COCc4cccc(C=O)c4)(C3)C1)C2 |TLB:20:8:22:5.4.3,20:4:22:8.21.7,9:8:5:22.2.3,THB:21:8:5:22.2.3,21:2:5:8.20.7| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610868 (US10626095, Example 657) Show SMILES Fc1cccc(COc2cc(F)cc(C=O)c2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610869 (US10626095, Example 659) Show SMILES Fc1cc(OCc2ccc(OC(F)(F)F)cc2)cc(C=O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610870 (US10626095, Example 663) Show SMILES Clc1cc(C=O)cc(c1)-c1ncccn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610871 (US10626095, Example 718) Show SMILES Fc1cc(F)cc(\C=C\c2cccc(C=O)c2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610872 (US10626095, Example 790) Show SMILES Cc1cc(OCc2ccc(Cl)c(c2)C(F)(F)F)cc(C=O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	980	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610873 (US10626095, Example 807) Show SMILES Cc1cc(C=O)sc1\C=C\c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610875 (US10626095, Example 931) Show SMILES CCN(C)c1ccc(C=O)cc1-c1cccc(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610876 (US10626095, Example 934) Show SMILES FC(F)(F)Oc1cc(cc(c1)-c1ccc2OC(F)(F)Oc2c1)-c1nn[nH]c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	510	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610877 (US10626095, Example 944) Show SMILES Oc1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610878 (US10626095, Example 989) Show SMILES CCOC(=O)c1csc(n1)-c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610879 (US10626095, Example 1004) Show SMILES NC(=O)c1ccc2ccn(-c3cccc(c3)C(F)(F)F)c2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610880 (US10626095, Example 1017) Show SMILES Fc1ccc(cc1F)N1CCc2c1cccc2C=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610881 (US10626095, Example 1018) Show SMILES Fc1ccc(cc1F)-n1ccc2c(C=O)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM610882 (US10626095, Example 1248) Show SMILES OCCCc1cccc(OCc2ccc(cc2)C(F)(F)F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2BZ6B51
					More data for this Ligand-Target Pair

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