BDBM50127297 3-[5-(3-Guanidino-propylcarbamoyl)-2-oxo-1-aza-bicyclo[5.2.0]non-8-yl]-propionic acid::CHEMBL38455

SMILES: NC(=N)NCCCNC(=O)C1CCC(=O)N2CC(CCC(O)=O)C2C1

InChI Key: InChIKey=SEOIFQJAALNJAH-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 = 50127297   

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
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50127297 (3-[5-(3-Guanidino-propylcarbamoyl)-2-oxo-1-aza-bic...) Show SMILES NC(=N)NCCCNC(=O)C1CCC(=O)N2CC(CCC(O)=O)C2C1 Show InChI InChI=1S/C16H27N5O4/c17-16(18)20-7-1-6-19-15(25)10-2-4-13(22)21-9-11(12(21)8-10)3-5-14(23)24/h10-12H,1-9H2,(H,19,25)(H,23,24)(H4,17,18,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier I Curated by ChEMBL					Assay Description Inhibition of fibronectin (GST-3Fn8-11) binding to recombinant soluble mini integrin alpha5-beta1				Bioorg Med Chem Lett 13: 1561-4 (2003) BindingDB Entry DOI: 10.7270/Q2BR8RK2
					More data for this Ligand-Target Pair