Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448878'   

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-V/beta-6 (Homo sapiens (Human))	BDBM448878 (US10696672, Compound 110 | US11634418, Compound 11...) Show SMILES Cn1ncc2ccc(cc12)C(=O)N[C@@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C28H35FN6O3/c1-34-24-16-20(5-6-21(24)17-31-34)26(36)33-23(27(37)38)10-15-35-14-3-11-28(29,18-35)12-9-22-8-7-19-4-2-13-30-25(19)32-22/h5-8,16-17,23H,2-4,9-15,18H2,1H3,(H,30,32)(H,33,36)(H,37,38)/t23-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22J6GS4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448878 (US10696672, Compound 110 | US11634418, Compound 11...) Show SMILES Cn1ncc2ccc(cc12)C(=O)N[C@@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C28H35FN6O3/c1-34-24-16-20(5-6-21(24)17-31-34)26(36)33-23(27(37)38)10-15-35-14-3-11-28(29,18-35)12-9-22-8-7-19-4-2-13-30-25(19)32-22/h5-8,16-17,23H,2-4,9-15,18H2,1H3,(H,30,32)(H,33,36)(H,37,38)/t23-,28-/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 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair