Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448857'   

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))	BDBM448857 (US10696672, Compound 89 | US11634418, Compound 89) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1COCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C30H41N5O4/c36-29(27-21-39-18-17-35(27)20-22-5-2-1-3-6-22)33-26(30(37)38)13-16-34-15-12-23(19-34)8-10-25-11-9-24-7-4-14-31-28(24)32-25/h1-3,5-6,9,11,23,26-27H,4,7-8,10,12-21H2,(H,31,32)(H,33,36)(H,37,38)/t23-,26+,27+/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))	BDBM448857 (US10696672, Compound 89 | US11634418, Compound 89) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1COCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C30H41N5O4/c36-29(27-21-39-18-17-35(27)20-22-5-2-1-3-6-22)33-26(30(37)38)13-16-34-15-12-23(19-34)8-10-25-11-9-24-7-4-14-31-28(24)32-25/h1-3,5-6,9,11,23,26-27H,4,7-8,10,12-21H2,(H,31,32)(H,33,36)(H,37,38)/t23-,26+,27+/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