Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448871'   

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))	BDBM448871 (US10696672, Compound 103 | US11634418, Compound 10...) Show SMILES OC(=O)[C@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1Cl |r| Show InChI InChI=1S/C26H31ClF2N4O3/c27-22-19(5-1-6-20(22)28)24(34)32-21(25(35)36)10-15-33-14-3-11-26(29,16-33)12-9-18-8-7-17-4-2-13-30-23(17)31-18/h1,5-8,21H,2-4,9-16H2,(H,30,31)(H,32,34)(H,35,36)/t21-,26-/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))	BDBM448871 (US10696672, Compound 103 | US11634418, Compound 10...) Show SMILES OC(=O)[C@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1Cl |r| Show InChI InChI=1S/C26H31ClF2N4O3/c27-22-19(5-1-6-20(22)28)24(34)32-21(25(35)36)10-15-33-14-3-11-26(29,16-33)12-9-18-8-7-17-4-2-13-30-23(17)31-18/h1,5-8,21H,2-4,9-16H2,(H,30,31)(H,32,34)(H,35,36)/t21-,26-/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