BDBM50169138 (S)-2-((S)-2,6-Diamino-hexanoylamino)-propionic acid::CHEMBL93178

SMILES: C[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O

InChI Key: InChIKey=QOOWRKBDDXQRHC-BQBZGAKWSA-N

Data: 4 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50169138   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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 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 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 KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to human PepT2 in SKTP cells				Bioorg Med Chem 19: 4544-51 (2011) Article DOI: 10.1016/j.bmc.2011.06.027 BindingDB Entry DOI: 10.7270/Q2MP549P
					More data for this Ligand-Target Pair
Oligopeptide transporter small intestine isoform (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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells				J Med Chem 48: 4410-9 (2005) Article DOI: 10.1021/jm048982w BindingDB Entry DOI: 10.7270/Q2Q24116
					More data for this Ligand-Target Pair
Oligopeptide transporter small intestine isoform (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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Angiotensin-converting enzyme (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Biological activity was measured against Angiotensin I converting enzyme				J Med Chem 38: 2705-13 (1995) BindingDB Entry DOI: 10.7270/Q2GX4CSN
					More data for this Ligand-Target Pair