BDBM50010156 3-[1-carbamoyl-2-hydroxy-(1S)-ethylcarbamoyl]-3-[2-(citrulline)-1-methylcarboxamido-carboxamidomethylcarboxamido]propanoic acid::CHEMBL2370391

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

InChI Key: InChIKey=GSBVIJRIXWULDX-DCAQKATOSA-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 = 50010156   

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))	BDBM50010156 (3-[1-carbamoyl-2-hydroxy-(1S)-ethylcarbamoyl]-3-[2...) Show SMILES CC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C17H29N7O9/c1-8(26)22-9(3-2-4-20-17(19)33)15(31)21-6-12(27)23-10(5-13(28)29)16(32)24-11(7-25)14(18)30/h9-11,25H,2-7H2,1H3,(H2,18,30)(H,21,31)(H,22,26)(H,23,27)(H,24,32)(H,28,29)(H3,19,20,33)/t9-,10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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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