BDBM50076581 (S)-2-Benzyloxycarbonylamino-3-{[5-(2-guanidino-ethyl)-4,5-dihydro-isoxazole-3-carbonyl]-amino}-propionic acid::CHEMBL368986

SMILES: NC(=N)NCCC1CC(=NO1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O

InChI Key: InChIKey=QRDVEUQHPVDKMC-PYMCNQPYSA-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 = 50076581   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50076581 ((S)-2-Benzyloxycarbonylamino-3-{[5-(2-guanidino-et...) Show SMILES NC(=N)NCCC1CC(=NO1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O |c:8| Show InChI InChI=1S/C18H24N6O6/c19-17(20)21-7-6-12-8-13(24-30-12)15(25)22-9-14(16(26)27)23-18(28)29-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,22,25)(H,23,28)(H,26,27)(H4,19,20,21)/t12?,14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair