BDBM50064928 CHEMBL78119::[1-(3-{2-Fluoro-4-[imino-(4-methyl-piperazin-1-yl)-methyl]-benzoylamino}-2,2-dimethyl-pentanoyl)-piperidin-4-yl]-acetic acid ethyl ester

SMILES: CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCN(C)CC1

InChI Key: InChIKey=UJVHDCIYLCPNMX-UHFFFAOYSA-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 = 50064928   

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))	BDBM50064928 (CHEMBL78119 | [1-(3-{2-Fluoro-4-[imino-(4-methyl-p...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCN(C)CC1 Show InChI InChI=1S/C29H44FN5O4/c1-6-24(29(3,4)28(38)35-12-10-20(11-13-35)18-25(36)39-7-2)32-27(37)22-9-8-21(19-23(22)30)26(31)34-16-14-33(5)15-17-34/h8-9,19-20,24,31H,6-7,10-18H2,1-5H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
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