Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448787'   

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))	BDBM448787 ((R)-2-(4,4-difluorocyclohexane-1- | US10696672, Co...) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C25H36F2N4O3/c26-25(27)11-7-19(8-12-25)23(32)30-21(24(33)34)10-15-31-14-9-17(16-31)3-5-20-6-4-18-2-1-13-28-22(18)29-20/h4,6,17,19,21H,1-3,5,7-16H2,(H,28,29)(H,30,32)(H,33,34)/t17-,21-/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))	BDBM448787 ((R)-2-(4,4-difluorocyclohexane-1- | US10696672, Co...) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C25H36F2N4O3/c26-25(27)11-7-19(8-12-25)23(32)30-21(24(33)34)10-15-31-14-9-17(16-31)3-5-20-6-4-18-2-1-13-28-22(18)29-20/h4,6,17,19,21H,1-3,5,7-16H2,(H,28,29)(H,30,32)(H,33,34)/t17-,21-/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