Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-7' and Ligand = 'BDBM314080'   

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-4/beta-7 (Homo sapiens (Human))	BDBM314080 (US9610264, Compound 13) Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1CCc2ccccc12)c1ccccc1 Show InChI InChI=1S/C25H25N3O2/c1-18(19-9-3-2-4-10-19)26-25(30)21-12-6-7-13-22(21)27-24(29)17-28-16-15-20-11-5-8-14-23(20)28/h2-14,18H,15-17H2,1H3,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
KFLP BIOTECH, LLC US Patent					Assay Description The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...				US Patent US9610264 (2017) BindingDB Entry DOI: 10.7270/Q2KH0QD4
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