BDBM50034684 3-{[(R)-1-((S)-6-Benzyloxycarbonylamino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid::CHEMBL41030

SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](C1)C(=O)NCCC(O)=O

InChI Key: InChIKey=YWCSJVLQBGVZID-YADHBBJMSA-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 = 50034684   

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))	BDBM50034684 (3-{[(R)-1-((S)-6-Benzyloxycarbonylamino-2-tert-but...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](C1)C(=O)NCCC(O)=O Show InChI InChI=1S/C28H42N4O8/c1-28(2,3)40-27(38)31-22(13-7-8-15-30-26(37)39-19-20-10-5-4-6-11-20)25(36)32-17-9-12-21(18-32)24(35)29-16-14-23(33)34/h4-6,10-11,21-22H,7-9,12-19H2,1-3H3,(H,29,35)(H,30,37)(H,31,38)(H,33,34)/t21-,22+/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	2.00E+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