Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM465223'   

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))	BDBM465223 (US10793564, Compound 12 | US11419869, Compound 12 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C28H37FN6O3/c1-19-31-25-18-21(29)9-11-23(25)27(32-19)34-24(28(36)37)12-15-35(16-17-38-2)14-4-3-7-22-10-8-20-6-5-13-30-26(20)33-22/h8-11,18,24H,3-7,12-17H2,1-2H3,(H,30,33)(H,36,37)(H,31,32,34)/t24-/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
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HD80SR
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465223 (US10793564, Compound 12 | US11419869, Compound 12 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C28H37FN6O3/c1-19-31-25-18-21(29)9-11-23(25)27(32-19)34-24(28(36)37)12-15-35(16-17-38-2)14-4-3-7-22-10-8-20-6-5-13-30-26(20)33-22/h8-11,18,24H,3-7,12-17H2,1-2H3,(H,30,33)(H,36,37)(H,31,32,34)/t24-/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
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465223 (US10793564, Compound 12 | US11419869, Compound 12 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C28H37FN6O3/c1-19-31-25-18-21(29)9-11-23(25)27(32-19)34-24(28(36)37)12-15-35(16-17-38-2)14-4-3-7-22-10-8-20-6-5-13-30-26(20)33-22/h8-11,18,24H,3-7,12-17H2,1-2H3,(H,30,33)(H,36,37)(H,31,32,34)/t24-/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
TBA					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HD80MH
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465223 (US10793564, Compound 12 | US11419869, Compound 12 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C28H37FN6O3/c1-19-31-25-18-21(29)9-11-23(25)27(32-19)34-24(28(36)37)12-15-35(16-17-38-2)14-4-3-7-22-10-8-20-6-5-13-30-26(20)33-22/h8-11,18,24H,3-7,12-17H2,1-2H3,(H,30,33)(H,36,37)(H,31,32,34)/t24-/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
TBA					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair