Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-6' and Ligand = 'BDBM465261'   

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))	BDBM465261 (US10793564, Compound 50 | US11419869, Compound 50 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)F)Nc1ncnc2ccccc12 Show InChI InChI=1S/C28H36F2N6O3/c29-25(30)18-39-17-16-36(14-4-3-7-21-11-10-20-6-5-13-31-26(20)34-21)15-12-24(28(37)38)35-27-22-8-1-2-9-23(22)32-19-33-27/h1-2,8-11,19,24-25H,3-7,12-18H2,(H,31,34)(H,37,38)(H,32,33,35)/t24-/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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