BDBM50010178 CHEMBL2370398::[4-Acetyl-16-acetylamino-13-(2-carbamimidoyl-ethyl)-13-(2-guanidino-ethyl)-3,3-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid

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

InChI Key: InChIKey=FFHUBOKWAHIRCD-DIYZPWMISA-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 = 50010178   

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))	BDBM50010178 (CHEMBL2370398 | [4-Acetyl-16-acetylamino-13-(2-car...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#16]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)[C@@]([#6]-[#6]\[#7]=[#6](\[#7])-[#7])([#6]-[#6]-[#6](-[#7])=[#7])[#7]-[#6]-1=O)-[#6](-[#6])=O Show InChI InChI=1S/C25H42N10O8S2/c1-12(36)19-24(3,4)45-44-11-15(32-13(2)37)21(42)35-25(6-5-16(26)27,7-8-30-23(28)29)22(43)31-10-17(38)33-14(9-18(39)40)20(41)34-19/h14-15,19H,5-11H2,1-4H3,(H3,26,27)(H,31,43)(H,32,37)(H,33,38)(H,34,41)(H,35,42)(H,39,40)(H4,28,29,30)/t14-,15+,19-,25-/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	8.20E+4	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 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor				J Med Chem 34: 3114-25 (1991) BindingDB Entry DOI: 10.7270/Q2445KF0
					More data for this Ligand-Target Pair