Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448854'   

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))	BDBM448854 (US10696672, Compound 86 | US11634418, Compound 86) Show SMILES Cn1nccc1-c1cccc(c1)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C29H36N6O3/c1-34-26(11-15-31-34)22-4-2-5-23(18-22)28(36)33-25(29(37)38)13-17-35-16-12-20(19-35)7-9-24-10-8-21-6-3-14-30-27(21)32-24/h2,4-5,8,10-11,15,18,20,25H,3,6-7,9,12-14,16-17,19H2,1H3,(H,30,32)(H,33,36)(H,37,38)/t20-,25-/m1/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))	BDBM448854 (US10696672, Compound 86 | US11634418, Compound 86) Show SMILES Cn1nccc1-c1cccc(c1)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C29H36N6O3/c1-34-26(11-15-31-34)22-4-2-5-23(18-22)28(36)33-25(29(37)38)13-17-35-16-12-20(19-35)7-9-24-10-8-21-6-3-14-30-27(21)32-24/h2,4-5,8,10-11,15,18,20,25H,3,6-7,9,12-14,16-17,19H2,1H3,(H,30,32)(H,33,36)(H,37,38)/t20-,25-/m1/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