Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-6' and Ligand = 'BDBM465236'   

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))	BDBM465236 (US10793564, Compound 25 | US11419869, Compound 25 ...) Show SMILES CO[C@@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C28H38N6O3/c1-20(37-2)18-34(16-6-5-9-22-13-12-21-8-7-15-29-26(21)32-22)17-14-25(28(35)36)33-27-23-10-3-4-11-24(23)30-19-31-27/h3-4,10-13,19-20,25H,5-9,14-18H2,1-2H3,(H,29,32)(H,35,36)(H,30,31,33)/t20-,25-/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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