Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50014241   

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))	BDBM50139892 ((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	180	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 fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139894 (((S)-2-Amino-3-phenyl-propionylamino)-acetic acid ...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	200	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 fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139890 ((S)-5-Amino-4-oxo-6-phenyl-hexanoic acid | CHEMBL1...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	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 fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139893 ((E)-(S)-5-Amino-4-(S)-hydroxy-6-phenyl-hex-2-enoic...) Show SMILES N[C@@H](Cc1ccccc1)[C@@H](O)\C=C\C(O)=O Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-7,10-11,14H,8,13H2,(H,15,16)/b7-6+/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+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 fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139892 ((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139894 (((S)-2-Amino-3-phenyl-propionylamino)-acetic acid ...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139890 ((S)-5-Amino-4-oxo-6-phenyl-hexanoic acid | CHEMBL1...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/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	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139893 ((E)-(S)-5-Amino-4-(S)-hydroxy-6-phenyl-hex-2-enoic...) Show SMILES N[C@@H](Cc1ccccc1)[C@@H](O)\C=C\C(O)=O Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-7,10-11,14H,8,13H2,(H,15,16)/b7-6+/t10-,11-/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	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair