Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448853'   

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))	BDBM448853 (US10696672, Compound 85 | US11634418, Compound 85) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cscn1 |r| Show InChI InChI=1S/C28H33N5O3S/c34-27(22-4-1-3-21(15-22)25-17-37-18-30-25)32-24(28(35)36)11-14-33-13-10-19(16-33)6-8-23-9-7-20-5-2-12-29-26(20)31-23/h1,3-4,7,9,15,17-19,24H,2,5-6,8,10-14,16H2,(H,29,31)(H,32,34)(H,35,36)/t19-,24-/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))	BDBM448853 (US10696672, Compound 85 | US11634418, Compound 85) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cscn1 |r| Show InChI InChI=1S/C28H33N5O3S/c34-27(22-4-1-3-21(15-22)25-17-37-18-30-25)32-24(28(35)36)11-14-33-13-10-19(16-33)6-8-23-9-7-20-5-2-12-29-26(20)31-23/h1,3-4,7,9,15,17-19,24H,2,5-6,8,10-14,16H2,(H,29,31)(H,32,34)(H,35,36)/t19-,24-/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