Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 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 22 member 5 (Rattus norvegicus)	BDBM50375327 (CHEMBL410874) Show SMILES C[N+](C)(C)C[C@H](CC(O)=O)OC(=O)CCCCCCCCCCCCCCCO[N+]([O-])=O Show InChI InChI=1S/C23H44N2O7/c1-25(2,3)20-21(19-22(26)27)32-23(28)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-31-24(29)30/h21H,4-20H2,1-3H3/p+1/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of rat kidney brush border membrane OCTN2 transporter assessed as [3H]carnitine uptake after 10 mins				Bioorg Med Chem 16: 1444-51 (2008) Article DOI: 10.1016/j.bmc.2007.10.053 BindingDB Entry DOI: 10.7270/Q21837CN
					More data for this Ligand-Target Pair
Solute carrier family 22 member 5 (Rattus norvegicus)	BDBM50375326 (CHEMBL260616) Show SMILES C[N+](C)(C)C[C@H](CC(O)=O)OC(=O)CCCCCO[N+]([O-])=O Show InChI InChI=1S/C13H24N2O7/c1-15(2,3)10-11(9-12(16)17)22-13(18)7-5-4-6-8-21-14(19)20/h11H,4-10H2,1-3H3/p+1/t11-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of rat kidney brush border membrane OCTN2 transporter assessed as [3H]carnitine uptake after 10 mins				Bioorg Med Chem 16: 1444-51 (2008) Article DOI: 10.1016/j.bmc.2007.10.053 BindingDB Entry DOI: 10.7270/Q21837CN
					More data for this Ligand-Target Pair
Solute carrier family 22 member 5 (Homo sapiens)	BDBM50103624 (40602 | CHEBI:3537 | Cefaloridine | Cephaloridine ...) Show SMILES [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |r,c:12| Show InChI InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Georgia Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Carnitine uptake (Carnitine: 0.02 uM) in OCTN2-expressing HeLa cells				J Biol Chem 275: 1699-707 (2000) Article DOI: 10.1074/jbc.275.3.1699 BindingDB Entry DOI: 10.7270/Q2CF9SZ0
					More data for this Ligand-Target Pair
Solute carrier family 22 member 5 (Rattus norvegicus)	BDBM50375328 (CHEMBL410276) Show SMILES CCOC(=O)C[C@@H](C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCO[N+]([O-])=O Show InChI InChI=1S/C25H49N2O7/c1-5-32-25(29)21-23(22-27(2,3)4)34-24(28)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-33-26(30)31/h23H,5-22H2,1-4H3/q+1/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of rat kidney brush border membrane OCTN2 transporter assessed as [3H]carnitine uptake after 10 mins				Bioorg Med Chem 16: 1444-51 (2008) Article DOI: 10.1016/j.bmc.2007.10.053 BindingDB Entry DOI: 10.7270/Q21837CN
					More data for this Ligand-Target Pair
Solute carrier family 22 member 5 (Homo sapiens)	BDBM50350470 (CEFEPIME | Maxipime) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1 |r,c:19| Show InChI InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Georgia Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Carnitine uptake (Carnitine: 0.02 uM) in OCTN2-expressing HeLa cells				J Biol Chem 275: 1699-707 (2000) Article DOI: 10.1074/jbc.275.3.1699 BindingDB Entry DOI: 10.7270/Q2CF9SZ0
					More data for this Ligand-Target Pair
Solute carrier family 22 member 5 (Homo sapiens)	BDBM50485614 (Cefoselis) Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C([O-])=O)=C(C[n+]3ccc(N)n3CCO)CS[C@]12[H] |t:22| Show InChI InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+7	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Georgia Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Carnitine uptake (Carnitine: 0.02 uM) in OCTN2-expressing HeLa cells				J Biol Chem 275: 1699-707 (2000) Article DOI: 10.1074/jbc.275.3.1699 BindingDB Entry DOI: 10.7270/Q2CF9SZ0
					More data for this Ligand-Target Pair