BDBM50065189 (S)-2-((S)-3-Carboxy-2-{2-[ethyl-(3-piperidin-4-yl-propionyl)-amino]-acetylamino}-propionylamino)-3-methyl-butyric acid::CHEMBL82286

SMILES: CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCC1CCNCC1

InChI Key: InChIKey=MJFHIPWYLPQUTQ-KXBFYZLASA-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 = 50065189   

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))	BDBM50065189 ((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(3-piperidin-4-yl...) Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCC1CCNCC1 Show InChI InChI=1S/C21H36N4O7/c1-4-25(17(27)6-5-14-7-9-22-10-8-14)12-16(26)23-15(11-18(28)29)20(30)24-19(13(2)3)21(31)32/h13-15,19,22H,4-12H2,1-3H3,(H,23,26)(H,24,30)(H,28,29)(H,31,32)/t15-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Central Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit the aggregation of fixed human platelets				J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28
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