BDBM50034689 3-{[1-((R)-2,6-Diamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid::CHEMBL40473

SMILES: NCCCC[C@@H](N)C(=O)N1CCCC(C1)C(=O)NCCC(O)=O

InChI Key: InChIKey=IDKGSEXQIHVYLO-PIJUOVFKSA-N

Data: 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 1 hit for monomerid = 50034689   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50034689 (3-{[1-((R)-2,6-Diamino-hexanoyl)-piperidine-3-carb...) Show SMILES NCCCC[C@@H](N)C(=O)N1CCCC(C1)C(=O)NCCC(O)=O Show InChI InChI=1S/C15H28N4O4/c16-7-2-1-5-12(17)15(23)19-9-3-4-11(10-19)14(22)18-8-6-13(20)21/h11-12H,1-10,16-17H2,(H,18,22)(H,20,21)/t11?,12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to isolated alpha IIb beta3 integrin				J Med Chem 38: 1582-92 (1995) BindingDB Entry DOI: 10.7270/Q2GB233R
					More data for this Ligand-Target Pair