Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448858'   

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))	BDBM448858 (US10696672, Compound 90 | US11634418, Compound 90) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1Cc1ncccn1 |r| Show InChI InChI=1S/C28H39N7O3/c36-27(24-5-2-15-35(24)19-25-29-13-3-14-30-25)33-23(28(37)38)11-17-34-16-10-20(18-34)6-8-22-9-7-21-4-1-12-31-26(21)32-22/h3,7,9,13-14,20,23-24H,1-2,4-6,8,10-12,15-19H2,(H,31,32)(H,33,36)(H,37,38)/t20-,23+,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))	BDBM448858 (US10696672, Compound 90 | US11634418, Compound 90) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1Cc1ncccn1 |r| Show InChI InChI=1S/C28H39N7O3/c36-27(24-5-2-15-35(24)19-25-29-13-3-14-30-25)33-23(28(37)38)11-17-34-16-10-20(18-34)6-8-22-9-7-21-4-1-12-31-26(21)32-22/h3,7,9,13-14,20,23-24H,1-2,4-6,8,10-12,15-19H2,(H,31,32)(H,33,36)(H,37,38)/t20-,23+,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