Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50008422   

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))	BDBM50519221 (CHEMBL4460144) Show SMILES OC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(O)=O |r| Show InChI InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)/t4-,5+,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake by LC-MS/MS analysis				J Med Chem 62: 7708-7721 (2019) Article DOI: 10.1021/acs.jmedchem.9b00358 BindingDB Entry DOI: 10.7270/Q2CZ3BJ4
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50519220 (CHEMBL2229108) Show SMILES OC[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C1=O |r| Show InChI InChI=1S/C8H12N2O4/c11-3-5-8(14)10-2-4(12)1-6(10)7(13)9-5/h4-6,11-12H,1-3H2,(H,9,13)/t4-,5+,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	3.60E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake by LC-MS/MS analysis				J Med Chem 62: 7708-7721 (2019) Article DOI: 10.1021/acs.jmedchem.9b00358 BindingDB Entry DOI: 10.7270/Q2CZ3BJ4
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50519221 (CHEMBL4460144) Show SMILES OC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(O)=O |r| Show InChI InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)/t4-,5+,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+6	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake measured after 10 mins by UPLC-MS/MS analysis				J Med Chem 62: 7708-7721 (2019) Article DOI: 10.1021/acs.jmedchem.9b00358 BindingDB Entry DOI: 10.7270/Q2CZ3BJ4
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50519222 (CHEMBL4540326) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@H](COC(=O)[C@@H](N)C(C)C)NC2=O |r| Show InChI InChI=1S/C13H21N3O5/c1-6(2)10(14)13(20)21-5-8-12(19)16-4-7(17)3-9(16)11(18)15-8/h6-10,17H,3-5,14H2,1-2H3,(H,15,18)/t7-,8+,9+,10+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake measured after 10 mins by UPLC-MS/MS analysis				J Med Chem 62: 7708-7721 (2019) Article DOI: 10.1021/acs.jmedchem.9b00358 BindingDB Entry DOI: 10.7270/Q2CZ3BJ4
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50519220 (CHEMBL2229108) Show SMILES OC[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C1=O |r| Show InChI InChI=1S/C8H12N2O4/c11-3-5-8(14)10-2-4(12)1-6(10)7(13)9-5/h4-6,11-12H,1-3H2,(H,9,13)/t4-,5+,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+7	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake measured after 10 mins by UPLC-MS/MS analysis				J Med Chem 62: 7708-7721 (2019) Article DOI: 10.1021/acs.jmedchem.9b00358 BindingDB Entry DOI: 10.7270/Q2CZ3BJ4
					More data for this Ligand-Target Pair