Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50037544   

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))	BDBM50370614 (CHEMBL608788) Show SMILES CCOc1ccc(C[C@H](N)C(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(Br)nc3cc(Cl)c(Cl)cc23)cc1 |r| Show InChI InChI=1S/C23H24BrCl2N3O6/c1-2-33-12-5-3-11(4-6-12)7-15(27)22(32)34-10-18-19(30)20(31)21(35-18)29-17-9-14(26)13(25)8-16(17)28-23(29)24/h3-6,8-9,15,18-21,30-31H,2,7,10,27H2,1H3/t15-,18+,19+,20+,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370616 (CHEMBL1791442) Show SMILES CCC(C)[C@H](N)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C18H22BrCl2N3O5/c1-3-7(2)13(22)17(27)28-6-12-14(25)15(26)16(29-12)24-11-5-9(21)8(20)4-10(11)23-18(24)19/h4-5,7,12-16,25-26H,3,6,22H2,1-2H3/t7?,12-,13+,14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370613 (CHEMBL607948) Show SMILES N[C@@H](Cc1ccc(Cl)cc1)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C21H19BrCl3N3O5/c22-21-27-14-6-11(24)12(25)7-15(14)28(21)19-18(30)17(29)16(33-19)8-32-20(31)13(26)5-9-1-3-10(23)4-2-9/h1-4,6-7,13,16-19,29-30H,5,8,26H2/t13-,16+,17+,18+,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370608 (CHEMBL607668) Show SMILES CC(C)[C@H](N)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C17H20BrCl2N3O5/c1-6(2)12(21)16(26)27-5-11-13(24)14(25)15(28-11)23-10-4-8(20)7(19)3-9(10)22-17(23)18/h3-4,6,11-15,24-25H,5,21H2,1-2H3/t11-,12+,13-,14-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370612 (CHEMBL608238) Show SMILES N[C@@H](Cc1ccccc1)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C21H20BrCl2N3O5/c22-21-26-14-7-11(23)12(24)8-15(14)27(21)19-18(29)17(28)16(32-19)9-31-20(30)13(25)6-10-4-2-1-3-5-10/h1-5,7-8,13,16-19,28-29H,6,9,25H2/t13-,16+,17+,18+,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370611 (CHEMBL610518) Show SMILES N[C@@H](CC(O)=O)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C16H16BrCl2N3O7/c17-16-21-8-1-5(18)6(19)2-9(8)22(16)14-13(26)12(25)10(29-14)4-28-15(27)7(20)3-11(23)24/h1-2,7,10,12-14,25-26H,3-4,20H2,(H,23,24)/t7-,10+,12+,13+,14?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370604 (CHEMBL609379) Show SMILES N[C@H](Cc1ccccc1)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C21H20BrCl2N3O5/c22-21-26-14-7-11(23)12(24)8-15(14)27(21)19-18(29)17(28)16(32-19)9-31-20(30)13(25)6-10-4-2-1-3-5-10/h1-5,7-8,13,16-19,28-29H,6,9,25H2/t13-,16-,17-,18-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370606 (CHEMBL607680) Show SMILES COc1ccc(C[C@H](N)C(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(Br)nc3cc(Cl)c(Cl)cc23)cc1 |r| Show InChI InChI=1S/C22H22BrCl2N3O6/c1-32-11-4-2-10(3-5-11)6-14(26)21(31)33-9-17-18(29)19(30)20(34-17)28-16-8-13(25)12(24)7-15(16)27-22(28)23/h2-5,7-8,14,17-20,29-30H,6,9,26H2,1H3/t14-,17+,18+,19+,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370607 (CHEMBL609093) Show SMILES CC(C)[C@@H](N)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C17H20BrCl2N3O5/c1-6(2)12(21)16(26)27-5-11-13(24)14(25)15(28-11)23-10-4-8(20)7(19)3-9(10)22-17(23)18/h3-4,6,11-15,24-25H,5,21H2,1-2H3/t11-,12-,13-,14-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370615 (CHEMBL607962) Show SMILES N[C@H](CC(O)=O)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C16H16BrCl2N3O7/c17-16-21-8-1-5(18)6(19)2-9(8)22(16)14-13(26)12(25)10(29-14)4-28-15(27)7(20)3-11(23)24/h1-2,7,10,12-14,25-26H,3-4,20H2,(H,23,24)/t7-,10-,12-,13-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50162073 ((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...) Show SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50422694 (CHEMBL2093921) Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C12H11BrCl2N2O4/c13-12-16-6-1-4(14)5(15)2-7(6)17(12)11-10(20)9(19)8(3-18)21-11/h1-2,8-11,18-20H,3H2/t8-,9+,10+,11+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370605 (CHEMBL607956) Show SMILES NCCCC[C@H](N)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C18H23BrCl2N4O5/c19-18-24-11-5-8(20)9(21)6-12(11)25(18)16-15(27)14(26)13(30-16)7-29-17(28)10(23)3-1-2-4-22/h5-6,10,13-16,26-27H,1-4,7,22-23H2/t10-,13+,14+,15+,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50370610 (CHEMBL608509) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1COC(=O)[C@@H]1CCCN1)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C17H18BrCl2N3O5/c18-17-22-10-4-7(19)8(20)5-11(10)23(17)15-14(25)13(24)12(28-15)6-27-16(26)9-2-1-3-21-9/h4-5,9,12-15,21,24-25H,1-3,6H2/t9-,12+,13+,14+,15?/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	5.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1				J Med Chem 48: 1274-7 (2005) Article DOI: 10.1021/jm049450i BindingDB Entry DOI: 10.7270/Q2348M46
					More data for this Ligand-Target Pair