Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/alpha-8' and Ligand = 'BDBM432098'   

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-5/alpha-8 (Homo sapiens (Human))	BDBM432098 (US10577330, Comparison Compound C7) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)NC(CC(O)=O)c2cc(Br)cc(Br)c2O)=NC1 |c:35| Show InChI InChI=1S/C22H23Br2N5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
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