BDBM50034696 (S)-2-{[1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-succinic acid 1-methyl ester::CHEMBL38457

SMILES: COC(=O)[C@H](CC(O)=O)NC(=O)C1CCCN(C1)C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C

InChI Key: InChIKey=YKPCSMLMBOPSAF-YVZMLIKISA-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 = 50034696   

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))	BDBM50034696 ((S)-2-{[1-((S)-6-Amino-2-tert-butoxycarbonylamino-...) Show SMILES COC(=O)[C@H](CC(O)=O)NC(=O)C1CCCN(C1)C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C Show InChI InChI=1S/C22H38N4O8/c1-22(2,3)34-21(32)25-15(9-5-6-10-23)19(30)26-11-7-8-14(13-26)18(29)24-16(12-17(27)28)20(31)33-4/h14-16H,5-13,23H2,1-4H3,(H,24,29)(H,25,32)(H,27,28)/t14?,15-,16-/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	29	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to isolated alpha IIb beta3 integrin				J Med Chem 38: 1582-92 (1995) BindingDB Entry DOI: 10.7270/Q2GB233R
					More data for this Ligand-Target Pair