BDBM50010180 3-[1-[4-amino(imino)methylamino-1-methylcarboxamido-(1S)-butylcarboxamido]-(1S)-ethylcarboxamido]-3-[1-carbamoyl-2-hydroxy-(1S)-ethylcarbamoyl]propanoic acid::CHEMBL107340

SMILES: C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=XWNAJGHEFYTFGB-VGDYDELISA-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 = 50010180   

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))	BDBM50010180 (3-[1-[4-amino(imino)methylamino-1-methylcarboxamid...) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C18H32N8O8/c1-8(23-16(33)10(24-9(2)28)4-3-5-22-18(20)21)15(32)25-11(6-13(29)30)17(34)26-12(7-27)14(19)31/h8,10-12,27H,3-7H2,1-2H3,(H2,19,31)(H,23,33)(H,24,28)(H,25,32)(H,26,34)(H,29,30)(H4,20,21,22)/t8-,10-,11-,12-/m0/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+5	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Research and Development Curated by ChEMBL					Assay Description Inhibition of canine platelet-rich plasma agregation induced by ADP				J Med Chem 34: 3114-25 (1991) BindingDB Entry DOI: 10.7270/Q2445KF0
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