BDBM50058931 CHEMBL63817::[6-(4-Guanidino-butoxy)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid

SMILES: NC(=N)NCCCCOc1ccc2C(=O)N(CC(O)=O)CCc2c1

InChI Key: InChIKey=KFXGRPNAWHPXMB-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 = 50058931   

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))	BDBM50058931 (CHEMBL63817 | [6-(4-Guanidino-butoxy)-1-oxo-3,4-di...) Show SMILES NC(=N)NCCCCOc1ccc2C(=O)N(CC(O)=O)CCc2c1 Show InChI InChI=1S/C16H22N4O4/c17-16(18)19-6-1-2-8-24-12-3-4-13-11(9-12)5-7-20(15(13)23)10-14(21)22/h3-4,9H,1-2,5-8,10H2,(H,21,22)(H4,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA				J Med Chem 40: 2085-101 (1997) Article DOI: 10.1021/jm9701076 BindingDB Entry DOI: 10.7270/Q23T9GBH
					More data for this Ligand-Target Pair