Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 373.4 BDBM50354350

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50354350 (CHEMBL1836344) Show SMILES OC(=O)CCN1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O Show InChI InChI=1S/C20H27N3O4/c24-18(3-1-2-14-6-9-21-10-7-14)22-16-5-4-15-13-23(11-8-19(25)26)20(27)17(15)12-16/h4-5,12,14,21H,1-3,6-11,13H2,(H,22,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets				Bioorg Med Chem Lett 21: 5971-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.063 BindingDB Entry DOI: 10.7270/Q26Q1XNS
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50354350 (CHEMBL1836344) Show SMILES OC(=O)CCN1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O Show InChI InChI=1S/C20H27N3O4/c24-18(3-1-2-14-6-9-21-10-7-14)22-16-5-4-15-13-23(11-8-19(25)26)20(27)17(15)12-16/h4-5,12,14,21H,1-3,6-11,13H2,(H,22,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of FITC-labeled fibrinogen binding to integrin alpha2bbeta3 receptor in human platelets by flow cytometry				Bioorg Med Chem 21: 4646-61 (2013) Article DOI: 10.1016/j.bmc.2013.05.019 BindingDB Entry DOI: 10.7270/Q2Q81FGX
					More data for this Ligand-Target Pair