Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448891'   

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))	BDBM448891 (US10696672, Compound 123 | US11634418, Compound 12...) Show SMILES OC(=O)[C@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C29H39N5O4/c35-28(26-9-5-15-34(26)18-21-6-2-1-3-7-21)32-25(29(36)37)12-16-33-19-24(20-33)38-17-13-23-11-10-22-8-4-14-30-27(22)31-23/h1-3,6-7,10-11,24-26H,4-5,8-9,12-20H2,(H,30,31)(H,32,35)(H,36,37)/t25-,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))	BDBM448891 (US10696672, Compound 123 | US11634418, Compound 12...) Show SMILES OC(=O)[C@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C29H39N5O4/c35-28(26-9-5-15-34(26)18-21-6-2-1-3-7-21)32-25(29(36)37)12-16-33-19-24(20-33)38-17-13-23-11-10-22-8-4-14-30-27(22)31-23/h1-3,6-7,10-11,24-26H,4-5,8-9,12-20H2,(H,30,31)(H,32,35)(H,36,37)/t25-,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