BDBM50010186 3-[4-amino(imino)methylamino-1-methylcarboxamido-(1S)-butyl(methyl)carboxamidomethylcarboxamido]-3-[1-hydroxymethyl-2-oxo-(1S)-propylcarbamoyl]propanoic acid::CHEMBL106724

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

InChI Key: InChIKey=CZAMFKTXCFZWLY-SRVKXCTJSA-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 = 50010186   

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))	BDBM50010186 (3-[4-amino(imino)methylamino-1-methylcarboxamido-(...) Show SMILES CN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O)C(=O)[C@H](CCCNC(N)=N)NC(C)=O Show InChI InChI=1S/C18H32N8O8/c1-9(28)23-10(4-3-5-22-18(20)21)17(34)26(2)7-13(29)24-11(6-14(30)31)16(33)25-12(8-27)15(19)32/h10-12,27H,3-8H2,1-2H3,(H2,19,32)(H,23,28)(H,24,29)(H,25,33)(H,30,31)(H4,20,21,22)/t10-,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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