BDBM50010162 CHEMBL2370401::[16-Acetylamino-4-carbamoyl-13-(3-guanidino-propyl)-3,3,10-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid

SMILES: [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O

InChI Key: InChIKey=ADKXSRIEKQKSSA-NEJBZPKRSA-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 = 50010162   

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))	BDBM50010162 (CHEMBL2370401 | [16-Acetylamino-4-carbamoyl-13-(3-...) Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C23H39N9O8S2/c1-10-18(37)31-13(8-15(34)35)20(39)32-16(17(24)36)23(3,4)42-41-9-14(29-11(2)33)21(40)30-12(19(38)28-10)6-5-7-27-22(25)26/h10,12-14,16H,5-9H2,1-4H3,(H2,24,36)(H,28,38)(H,29,33)(H,30,40)(H,31,37)(H,32,39)(H,34,35)(H4,25,26,27)/t10-,12+,13+,14+,16-/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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