BDBM50034693 4-{[1-((R)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-butyric acid::CHEMBL40197

SMILES: CC(C)(C)OC(=O)N[C@H](CCCCN)C(=O)N1CCCC(C1)C(=O)NCCCC(O)=O

InChI Key: InChIKey=RFEHMWSZTYBLSD-OEMAIJDKSA-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 = 50034693   

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))	BDBM50034693 (4-{[1-((R)-6-Amino-2-tert-butoxycarbonylamino-hexa...) Show SMILES CC(C)(C)OC(=O)N[C@H](CCCCN)C(=O)N1CCCC(C1)C(=O)NCCCC(O)=O Show InChI InChI=1S/C21H38N4O6/c1-21(2,3)31-20(30)24-16(9-4-5-11-22)19(29)25-13-7-8-15(14-25)18(28)23-12-6-10-17(26)27/h15-16H,4-14,22H2,1-3H3,(H,23,28)(H,24,30)(H,26,27)/t15?,16-/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	5.90E+4	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