BDBM50083448 (S)-3-({(R)-1-[3-(1-Iminomethyl-piperidin-4-yl)-propionyl]-piperidine-3-carbonyl}-amino)-3-pyridin-3-yl-propionic acid::CHEMBL345755

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCN(CC1)C=N)c1cccnc1

InChI Key: InChIKey=ZCECQUACUYXKTJ-UXHICEINSA-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 = 50083448   

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))	BDBM50083448 ((S)-3-({(R)-1-[3-(1-Iminomethyl-piperidin-4-yl)-pr...) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCN(CC1)C=N)c1cccnc1 Show InChI InChI=1S/C23H33N5O4/c24-16-27-11-7-17(8-12-27)5-6-21(29)28-10-2-4-19(15-28)23(32)26-20(13-22(30)31)18-3-1-9-25-14-18/h1,3,9,14,16-17,19-20,24H,2,4-8,10-13,15H2,(H,26,32)(H,30,31)/t19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.				J Med Chem 42: 5254-65 (2000) BindingDB Entry DOI: 10.7270/Q2BV7FT4
					More data for this Ligand-Target Pair