Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-6' and Ligand = 'BDBM465252'   

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))	BDBM465252 (US10793564, Compound 41 | US11419869, Compound 41 ...) Show SMILES COc1ccc2c(N[C@@H](CCN(CCCF)CCCCc3ccc4CCCNc4n3)C(O)=O)ncnc2c1 Show InChI InChI=1S/C28H37FN6O3/c1-38-22-10-11-23-25(18-22)31-19-32-27(23)34-24(28(36)37)12-17-35(16-5-13-29)15-3-2-7-21-9-8-20-6-4-14-30-26(20)33-21/h8-11,18-19,24H,2-7,12-17H2,1H3,(H,30,33)(H,36,37)(H,31,32,34)/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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