BDBM50052487 CHEMBL320317::{1-[(S)-2-(4-Carbamimidoyl-benzoylamino)-propionyl]-piperidin-4-yloxy}-acetic acid ethyl ester

SMILES: CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(N)=N

InChI Key: InChIKey=UEEVNDRFIJHHGB-ZDUSSCGKSA-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 = 50052487   

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))	BDBM50052487 (CHEMBL320317 | {1-[(S)-2-(4-Carbamimidoyl-benzoyla...) Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C20H28N4O5/c1-3-28-17(25)12-29-16-8-10-24(11-9-16)20(27)13(2)23-19(26)15-6-4-14(5-7-15)18(21)22/h4-7,13,16H,3,8-12H2,1-2H3,(H3,21,22)(H,23,26)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of FG binding to alpha IIb beta3 integrin				J Med Chem 39: 3139-47 (1996) Article DOI: 10.1021/jm9509298 BindingDB Entry DOI: 10.7270/Q2GT5M7Q
					More data for this Ligand-Target Pair