Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448860'   

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))	BDBM448860 (US10696672, Compound 92 | US11634418, Compound 92) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1CC1CCC1 |r| Show InChI InChI=1S/C28H43N5O3/c34-27(25-7-3-15-33(25)19-20-4-1-5-20)31-24(28(35)36)13-17-32-16-12-21(18-32)8-10-23-11-9-22-6-2-14-29-26(22)30-23/h9,11,20-21,24-25H,1-8,10,12-19H2,(H,29,30)(H,31,34)(H,35,36)/t21-,24+,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))	BDBM448860 (US10696672, Compound 92 | US11634418, Compound 92) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1CC1CCC1 |r| Show InChI InChI=1S/C28H43N5O3/c34-27(25-7-3-15-33(25)19-20-4-1-5-20)31-24(28(35)36)13-17-32-16-12-21(18-32)8-10-23-11-9-22-6-2-14-29-26(22)30-23/h9,11,20-21,24-25H,1-8,10,12-19H2,(H,29,30)(H,31,34)(H,35,36)/t21-,24+,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