Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50015146   

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 15 member 1 (Homo sapiens (Human))	BDBM50152064 (2-(3-Amino-4-methyl-2-oxo-pentyl)-succinic acid 4-...) Show SMILES CC(C)[C@H](N)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H23NO5/c1-11(2)16(18)14(19)8-13(17(21)22)9-15(20)23-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,18H2,1-2H3,(H,21,22)/t13-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152062 (2-(3-Amino-2-oxo-4-phenyl-butyl)-succinic acid 4-b...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C21H23NO5/c22-18(11-15-7-3-1-4-8-15)19(23)12-17(21(25)26)13-20(24)27-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,25,26)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152063 (5-Amino-6-methyl-4-oxo-heptanoic acid benzyl ester...) Show SMILES CC(C)[C@H](N)C(=O)CCC(=O)OCc1ccccc1 Show InChI InChI=1S/C15H21NO3/c1-11(2)15(16)13(17)8-9-14(18)19-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10,16H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152065 (3-Amino-4-oxo-heptanedioic acid 1-benzyl ester | C...) Show SMILES NC(CC(=O)OCc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C14H17NO5/c15-11(12(16)6-7-13(17)18)8-14(19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152066 (5-Amino-4-oxo-6-phenyl-hexanoic acid benzyl ester ...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1 Show InChI InChI=1S/C19H21NO3/c20-17(13-15-7-3-1-4-8-15)18(21)11-12-19(22)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152064 (2-(3-Amino-4-methyl-2-oxo-pentyl)-succinic acid 4-...) Show SMILES CC(C)[C@H](N)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H23NO5/c1-11(2)16(18)14(19)8-13(17(21)22)9-15(20)23-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,18H2,1-2H3,(H,21,22)/t13-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152062 (2-(3-Amino-2-oxo-4-phenyl-butyl)-succinic acid 4-b...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C21H23NO5/c22-18(11-15-7-3-1-4-8-15)19(23)12-17(21(25)26)13-20(24)27-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,25,26)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152063 (5-Amino-6-methyl-4-oxo-heptanoic acid benzyl ester...) Show SMILES CC(C)[C@H](N)C(=O)CCC(=O)OCc1ccccc1 Show InChI InChI=1S/C15H21NO3/c1-11(2)15(16)13(17)8-9-14(18)19-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10,16H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152065 (3-Amino-4-oxo-heptanedioic acid 1-benzyl ester | C...) Show SMILES NC(CC(=O)OCc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C14H17NO5/c15-11(12(16)6-7-13(17)18)8-14(19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152066 (5-Amino-4-oxo-6-phenyl-hexanoic acid benzyl ester ...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1 Show InChI InChI=1S/C19H21NO3/c20-17(13-15-7-3-1-4-8-15)18(21)11-12-19(22)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair