Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-7' and Ligand = 'BDBM314074'   

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))	BDBM314074 (US9610264, Compound 9) Show SMILES CC1CCCCN1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H27N3O2/c1-17-9-7-8-14-25(17)16-21(26)24-20-13-6-5-12-19(20)22(27)23-15-18-10-3-2-4-11-18/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,23,27)(H,24,26)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.53	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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