Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50141331'   

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-V/beta-3 (Homo sapiens (Human))	BDBM50141331 (CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...) Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50141331 (CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...) Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair