Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.4 BDBM50323318

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

Found 3 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))	BDBM50323318 (3-(3-(carbamoyl)benzamido)-3-phenylpropanoic acid ...) Show SMILES OC(=O)CC(NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)c1ccccc1 Show InChI InChI=1S/C26H25N3O4/c30-24(31)15-23(18-5-2-1-3-6-18)29-26(33)20-8-4-7-19(13-20)25(32)28-22-10-9-17-11-12-27-16-21(17)14-22/h1-10,13-14,23,27H,11-12,15-16H2,(H,28,32)(H,29,33)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-3/beta-3 (Homo sapiens (Human))	BDBM50323318 (3-(3-(carbamoyl)benzamido)-3-phenylpropanoic acid ...) Show SMILES OC(=O)CC(NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)c1ccccc1 Show InChI InChI=1S/C26H25N3O4/c30-24(31)15-23(18-5-2-1-3-6-18)29-26(33)20-8-4-7-19(13-20)25(32)28-22-10-9-17-11-12-27-16-21(17)14-22/h1-10,13-14,23,27H,11-12,15-16H2,(H,28,32)(H,29,33)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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 Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation				Bioorg Med Chem Lett 20: 4444-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.051 BindingDB Entry DOI: 10.7270/Q2H134T5
					More data for this Ligand-Target Pair
Integrin alpha-3/beta-3 (Homo sapiens (Human))	BDBM50323318 (3-(3-(carbamoyl)benzamido)-3-phenylpropanoic acid ...) Show SMILES OC(=O)CC(NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)c1ccccc1 Show InChI InChI=1S/C26H25N3O4/c30-24(31)15-23(18-5-2-1-3-6-18)29-26(33)20-8-4-7-19(13-20)25(32)28-22-10-9-17-11-12-27-16-21(17)14-22/h1-10,13-14,23,27H,11-12,15-16H2,(H,28,32)(H,29,33)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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 Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma				Bioorg Med Chem Lett 20: 4444-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.051 BindingDB Entry DOI: 10.7270/Q2H134T5
					More data for this Ligand-Target Pair