Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-6' and Ligand = 'BDBM465294'   

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/beta-6 (Homo sapiens (Human))	BDBM465294 (US10793564, Compound 83 | US11419869, Compound 83 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncc(Br)cn1 Show InChI InChI=1S/C28H35BrN6O3/c29-22-19-31-28(32-20-22)34-25(27(36)37)13-16-35(17-18-38-24-9-2-1-3-10-24)15-5-4-8-23-12-11-21-7-6-14-30-26(21)33-23/h1-3,9-12,19-20,25H,4-8,13-18H2,(H,30,33)(H,36,37)(H,31,32,34)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
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