Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50040217   

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 2 (Homo sapiens (Human))	BDBM50016695 ((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...) Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	6.00E+3	n/a	n/a	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 Gly-Sar uptake in PEPT2-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 2 (Homo sapiens (Human))	BDBM50169217 ((S)-6-Amino-2-((S)-2-amino-3-carboxy-propionylamin...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O Show InChI InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	8.00E+3	n/a	n/a	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 Gly-Sar uptake in PEPT2-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 2 (Homo sapiens (Human))	BDBM50169125 ((S)-6-Amino-2-((S)-2-amino-propionylamino)-hexanoi...) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10E+4	n/a	n/a	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 Gly-Sar uptake in PEPT2-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 2 (Homo sapiens (Human))	BDBM50188504 (Ala-Asp | CHEMBL380047) Show SMILES C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.80E+4	n/a	n/a	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 Gly-Sar uptake in PEPT2-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 2 (Homo sapiens (Human))	BDBM50169138 ((S)-2-((S)-2,6-Diamino-hexanoylamino)-propionic ac...) Show SMILES C[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O Show InChI InChI=1S/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.30E+4	n/a	n/a	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 Gly-Sar uptake in PEPT2-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50016695 ((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...) Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	7.80E+4	n/a	n/a	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 Gly-Sar uptake in PEPT1-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50188504 (Ala-Asp | CHEMBL380047) Show SMILES C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	7.80E+4	n/a	n/a	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 Gly-Sar uptake in PEPT1-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50169217 ((S)-6-Amino-2-((S)-2-amino-3-carboxy-propionylamin...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O Show InChI InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.08E+5	n/a	n/a	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 Gly-Sar uptake in PEPT1-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50169125 ((S)-6-Amino-2-((S)-2-amino-propionylamino)-hexanoi...) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.17E+5	n/a	n/a	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 Gly-Sar uptake in PEPT1-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50169138 ((S)-2-((S)-2,6-Diamino-hexanoylamino)-propionic ac...) Show SMILES C[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O Show InChI InChI=1S/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	4.19E+5	n/a	n/a	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 Gly-Sar uptake in PEPT1-expressing HeLa cells				Biochim Biophys Acta 1240: 1-4 (1996) BindingDB Entry DOI: 10.7270/Q2QN67V2
					More data for this Ligand-Target Pair