Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM448914'   

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))	BDBM448914 (US10696672, Compound 146 | US11634418, Compound 14...) Show SMILES OC(=O)[C@H](CCN1CC[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C25H30Cl2N4O3/c26-19-4-1-5-20(27)22(19)24(32)30-21(25(33)34)11-14-31-13-10-16(15-31)6-8-18-9-7-17-3-2-12-28-23(17)29-18/h1,4-5,7,9,16,21H,2-3,6,8,10-15H2,(H,28,29)(H,30,32)(H,33,34)/t16-,21-/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))	BDBM448914 (US10696672, Compound 146 | US11634418, Compound 14...) Show SMILES OC(=O)[C@H](CCN1CC[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C25H30Cl2N4O3/c26-19-4-1-5-20(27)22(19)24(32)30-21(25(33)34)11-14-31-13-10-16(15-31)6-8-18-9-7-17-3-2-12-28-23(17)29-18/h1,4-5,7,9,16,21H,2-3,6,8,10-15H2,(H,28,29)(H,30,32)(H,33,34)/t16-,21-/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