BDBM50318877 2-((1R,3S,6S,8aR)-6-((S)-2-amino-5-guanidinopentanamido)-3-(tert-butoxycarbonyl)-5-oxooctahydroindolizin-1-yl)acetic acid::CHEMBL1083696

SMILES: [#6]C([#6])([#6])[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6@H]-2-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-2

InChI Key: InChIKey=DCMGGXYQQPZFEF-FQKPHLNHSA-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 = 50318877   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50318877 (2-((1R,3S,6S,8aR)-6-((S)-2-amino-5-guanidinopentan...) Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6@H]-2-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-2 |r| Show InChI InChI=1S/C21H36N6O6/c1-21(2,3)33-19(32)15-9-11(10-16(28)29)14-7-6-13(18(31)27(14)15)26-17(30)12(22)5-4-8-25-20(23)24/h11-15H,4-10,22H2,1-3H3,(H,26,30)(H,28,29)(H4,23,24,25)/t11-,12+,13+,14-,15+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alphaVbeta3				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
					More data for this Ligand-Target Pair