Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'decaris' and Initial = 'm'   

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))	BDBM465246 (US10793564, Compound 35 | US11419869, Compound 35 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOC(F)F)Nc1ncnc2ccccc12 Show InChI InChI=1S/C27H34F2N6O3/c28-27(29)38-17-16-35(14-4-3-7-20-11-10-19-6-5-13-30-24(19)33-20)15-12-23(26(36)37)34-25-21-8-1-2-9-22(21)31-18-32-25/h1-2,8-11,18,23,27H,3-7,12-17H2,(H,30,33)(H,36,37)(H,31,32,34)/t23-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465249 (US10793564, Compound 38 | US11419869, Compound 38 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(Cl)cccc12)C(O)=O Show InChI InChI=1S/C27H35ClN6O3/c1-37-17-16-34(14-3-2-7-20-11-10-19-6-5-13-29-25(19)32-20)15-12-23(27(35)36)33-26-21-8-4-9-22(28)24(21)30-18-31-26/h4,8-11,18,23H,2-3,5-7,12-17H2,1H3,(H,29,32)(H,35,36)(H,30,31,33)/t23-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465250 (US10793564, Compound 39 | US11419869, Compound 39 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)(F)F)Nc1ncnc2ccccc12 Show InChI InChI=1S/C28H35F3N6O3/c29-28(30,31)18-40-17-16-37(14-4-3-7-21-11-10-20-6-5-13-32-25(20)35-21)15-12-24(27(38)39)36-26-22-8-1-2-9-23(22)33-19-34-26/h1-2,8-11,19,24H,3-7,12-18H2,(H,32,35)(H,38,39)(H,33,34,36)/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465251 (US10793564, Compound 40 | US11419869, Compound 40 ...) Show SMILES Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CCOc2ccc(F)cc2)C(O)=O)c2ccc(F)cc2n1 Show InChI InChI=1S/C33H38F2N6O3/c1-22-37-30-21-25(35)10-14-28(30)32(38-22)40-29(33(42)43)15-18-41(19-20-44-27-12-8-24(34)9-13-27)17-3-2-6-26-11-7-23-5-4-16-36-31(23)39-26/h7-14,21,29H,2-6,15-20H2,1H3,(H,36,39)(H,42,43)(H,37,38,40)/t29-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465252 (US10793564, Compound 41 | US11419869, Compound 41 ...) Show SMILES COc1ccc2c(N[C@@H](CCN(CCCF)CCCCc3ccc4CCCNc4n3)C(O)=O)ncnc2c1 Show InChI InChI=1S/C28H37FN6O3/c1-38-22-10-11-23-25(18-22)31-19-32-27(23)34-24(28(36)37)12-17-35(16-5-13-29)15-3-2-7-21-9-8-20-6-4-14-30-26(20)33-21/h8-11,18-19,24H,2-7,12-17H2,1H3,(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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465253 (US10793564, Compound 42 | US11419869, Compound 42 ...) Show SMILES Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CCOC2CC2(F)F)C(O)=O)c2ccc(F)cc2n1 Show InChI InChI=1S/C30H37F3N6O3/c1-19-35-25-17-21(31)8-10-23(25)28(36-19)38-24(29(40)41)11-14-39(15-16-42-26-18-30(26,32)33)13-3-2-6-22-9-7-20-5-4-12-34-27(20)37-22/h7-10,17,24,26H,2-6,11-16,18H2,1H3,(H,34,37)(H,40,41)(H,35,36,38)/t24-,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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465254 (US10793564, Compound 43 | US11419869, Compound 43 ...) Show SMILES COc1cccc2c(N[C@@H](CCN(CCCF)CCCCc3ccc4CCCNc4n3)C(O)=O)ncnc12 Show InChI InChI=1S/C28H37FN6O3/c1-38-24-10-4-9-22-25(24)31-19-32-27(22)34-23(28(36)37)13-18-35(17-6-14-29)16-3-2-8-21-12-11-20-7-5-15-30-26(20)33-21/h4,9-12,19,23H,2-3,5-8,13-18H2,1H3,(H,30,33)(H,36,37)(H,31,32,34)/t23-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465255 (US10793564, Compound 44 | US11419869, Compound 44 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-n1cccn1)C(O)=O Show InChI InChI=1S/C26H36N8O3/c1-37-17-16-33(13-3-2-7-21-9-8-20-6-4-11-27-25(20)31-21)15-10-22(26(35)36)32-23-18-24(29-19-28-23)34-14-5-12-30-34/h5,8-9,12,14,18-19,22H,2-4,6-7,10-11,13,15-17H2,1H3,(H,27,31)(H,35,36)(H,28,29,32)/t22-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465256 (US10793564, Compound 45 | US11419869, Compound 45 ...) Show SMILES Cc1cc(C)n(CCN(CCCCc2ccc3CCCNc3n2)CC[C@H](Nc2ncnc3ccccc23)C(O)=O)n1 Show InChI InChI=1S/C31H40N8O2/c1-22-20-23(2)39(37-22)19-18-38(16-6-5-9-25-13-12-24-8-7-15-32-29(24)35-25)17-14-28(31(40)41)36-30-26-10-3-4-11-27(26)33-21-34-30/h3-4,10-13,20-21,28H,5-9,14-19H2,1-2H3,(H,32,35)(H,40,41)(H,33,34,36)/t28-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465257 (US10793564, Compound 46 | US11419869, Compound 46 ...) Show SMILES COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2ccccc12)C(O)=O Show InChI InChI=1S/C29H39FN6O3/c1-20-32-25-11-4-3-10-24(25)28(33-20)35-26(29(37)38)14-17-36(18-22(30)19-39-2)16-6-5-9-23-13-12-21-8-7-15-31-27(21)34-23/h3-4,10-13,22,26H,5-9,14-19H2,1-2H3,(H,31,34)(H,37,38)(H,32,33,35)/t22-,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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465258 (US10793564, Compound 47 | US11419869, Compound 47 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1cc(F)cc(F)c1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C32H36F2N6O3/c33-23-18-24(34)20-26(19-23)43-17-16-40(14-4-3-7-25-11-10-22-6-5-13-35-30(22)38-25)15-12-29(32(41)42)39-31-27-8-1-2-9-28(27)36-21-37-31/h1-2,8-11,18-21,29H,3-7,12-17H2,(H,35,38)(H,41,42)(H,36,37,39)/t29-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465259 (US10793564, Compound 48 | US11419869, Compound 48 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2c(Cl)cccc12 Show InChI InChI=1S/C31H36ClN7O3/c32-25-10-5-9-24-28(25)35-21-36-30(24)38-26(31(40)41)14-18-39(19-20-42-27-11-1-3-15-33-27)17-4-2-8-23-13-12-22-7-6-16-34-29(22)37-23/h1,3,5,9-13,15,21,26H,2,4,6-8,14,16-20H2,(H,34,37)(H,40,41)(H,35,36,38)/t26-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465260 (US10793564, Compound 49 | US11419869, Compound 49 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C31H37N7O3/c39-31(40)27(37-30-25-10-1-2-11-26(25)34-22-35-30)15-19-38(20-21-41-28-12-3-5-16-32-28)18-6-4-9-24-14-13-23-8-7-17-33-29(23)36-24/h1-3,5,10-14,16,22,27H,4,6-9,15,17-21H2,(H,33,36)(H,39,40)(H,34,35,37)/t27-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465261 (US10793564, Compound 50 | US11419869, Compound 50 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)F)Nc1ncnc2ccccc12 Show InChI InChI=1S/C28H36F2N6O3/c29-25(30)18-39-17-16-36(14-4-3-7-21-11-10-20-6-5-13-31-26(20)34-21)15-12-24(28(37)38)35-27-22-8-1-2-9-23(22)32-19-33-27/h1-2,8-11,19,24-25H,3-7,12-18H2,(H,31,34)(H,37,38)(H,32,33,35)/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465262 (US10793564, Compound 51 | US11419869, Compound 51 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)(F)F)Nc1ncnc2cccnc12 Show InChI InChI=1S/C27H34F3N7O3/c28-27(29,30)17-40-16-15-37(13-2-1-6-20-9-8-19-5-3-12-32-24(19)35-20)14-10-22(26(38)39)36-25-23-21(33-18-34-25)7-4-11-31-23/h4,7-9,11,18,22H,1-3,5-6,10,12-17H2,(H,32,35)(H,38,39)(H,33,34,36)/t22-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465263 (US10793564, Compound 52 | US11419869, Compound 52 ...) Show SMILES Cc1ncccc1OCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C32H39N7O3/c1-23-29(12-7-16-33-23)42-21-20-39(18-5-4-9-25-14-13-24-8-6-17-34-30(24)37-25)19-15-28(32(40)41)38-31-26-10-2-3-11-27(26)35-22-36-31/h2-3,7,10-14,16,22,28H,4-6,8-9,15,17-21H2,1H3,(H,34,37)(H,40,41)(H,35,36,38)/t28-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465264 (US10793564, Compound 53 | US11419869, Compound 53 ...) Show SMILES Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CCOc2cccnc2C)C(O)=O)c2ccc(F)cc2n1 Show InChI InChI=1S/C33H40FN7O3/c1-22-30(9-6-15-35-22)44-20-19-41(17-4-3-8-26-12-10-24-7-5-16-36-31(24)39-26)18-14-28(33(42)43)40-32-27-13-11-25(34)21-29(27)37-23(2)38-32/h6,9-13,15,21,28H,3-5,7-8,14,16-20H2,1-2H3,(H,36,39)(H,42,43)(H,37,38,40)/t28-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465265 (US10793564, Compound 54 | US11419869, Compound 54 ...) Show SMILES Cc1ncccc1OCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O Show InChI InChI=1S/C31H38N8O3/c1-22-27(10-6-14-32-22)42-20-19-39(17-3-2-8-24-12-11-23-7-4-16-34-29(23)37-24)18-13-26(31(40)41)38-30-28-25(35-21-36-30)9-5-15-33-28/h5-6,9-12,14-15,21,26H,2-4,7-8,13,16-20H2,1H3,(H,34,37)(H,40,41)(H,35,36,38)/t26-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM566504 ((S)-4-((2-ethoxyethyl) (4-(5,6,7,8-tetrahydro-1,8-...) Show SMILES CCOCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI	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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465267 (US10793564, Compound 56 | US11419869, Compound 56 ...) Show SMILES Cc1ccc(OCCN(CCCCc2ccc3CCCNc3n2)CC[C@H](Nc2nc(C)nc3cc(F)ccc23)C(O)=O)cn1 Show InChI InChI=1S/C33H40FN7O3/c1-22-8-12-27(21-36-22)44-19-18-41(16-4-3-7-26-11-9-24-6-5-15-35-31(24)39-26)17-14-29(33(42)43)40-32-28-13-10-25(34)20-30(28)37-23(2)38-32/h8-13,20-21,29H,3-7,14-19H2,1-2H3,(H,35,39)(H,42,43)(H,37,38,40)/t29-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465268 (US10793564, Compound 57 | US11419869, Compound 57 ...) Show SMILES Cc1ccc(OCCN(CCCCc2ccc3CCCNc3n2)CC[C@H](Nc2ncnc3cccnc23)C(O)=O)cn1 Show InChI InChI=1S/C31H38N8O3/c1-22-9-12-25(20-34-22)42-19-18-39(16-3-2-7-24-11-10-23-6-4-15-33-29(23)37-24)17-13-27(31(40)41)38-30-28-26(35-21-36-30)8-5-14-32-28/h5,8-12,14,20-21,27H,2-4,6-7,13,15-19H2,1H3,(H,33,37)(H,40,41)(H,35,36,38)/t27-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465269 (US10793564, Compound 58 | US11419869, Compound 58 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1cncc(F)c1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C31H36FN7O3/c32-23-18-25(20-33-19-23)42-17-16-39(14-4-3-7-24-11-10-22-6-5-13-34-29(22)37-24)15-12-28(31(40)41)38-30-26-8-1-2-9-27(26)35-21-36-30/h1-2,8-11,18-21,28H,3-7,12-17H2,(H,34,37)(H,40,41)(H,35,36,38)/t28-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465270 (US10793564, Compound 59 | US11419869, Compound 59 ...) Show SMILES Cc1ccc(OCCN(CCCCc2ccc3CCCNc3n2)CC[C@H](Nc2ncnc3ccccc23)C(O)=O)cn1 Show InChI InChI=1S/C32H39N7O3/c1-23-11-14-26(21-34-23)42-20-19-39(17-5-4-8-25-13-12-24-7-6-16-33-30(24)37-25)18-15-29(32(40)41)38-31-27-9-2-3-10-28(27)35-22-36-31/h2-3,9-14,21-22,29H,4-8,15-20H2,1H3,(H,33,37)(H,40,41)(H,35,36,38)/t29-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465271 (US10793564, Compound 60 | US11419869, Compound 60 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1cncc(F)c1)Nc1ncnc2cccnc12 Show InChI InChI=1S/C30H35FN8O3/c31-22-17-24(19-32-18-22)42-16-15-39(13-2-1-6-23-9-8-21-5-3-12-34-28(21)37-23)14-10-26(30(40)41)38-29-27-25(35-20-36-29)7-4-11-33-27/h4,7-9,11,17-20,26H,1-3,5-6,10,12-16H2,(H,34,37)(H,40,41)(H,35,36,38)/t26-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465272 (US10793564, Compound 61 | US11419869, Compound 61 ...) Show SMILES Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CCOc2cncc(F)c2)C(O)=O)c2ccc(F)cc2n1 Show InChI InChI=1S/C32H37F2N7O3/c1-21-37-29-18-23(33)8-10-27(29)31(38-21)40-28(32(42)43)11-14-41(15-16-44-26-17-24(34)19-35-20-26)13-3-2-6-25-9-7-22-5-4-12-36-30(22)39-25/h7-10,17-20,28H,2-6,11-16H2,1H3,(H,36,39)(H,42,43)(H,37,38,40)/t28-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465273 (US10793564, Compound 62 | US11419869, Compound 62 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C28H38N6O3/c1-20(37-2)18-34(16-6-5-9-22-13-12-21-8-7-15-29-26(21)32-22)17-14-25(28(35)36)33-27-23-10-3-4-11-24(23)30-19-31-27/h3-4,10-13,19-20,25H,5-9,14-18H2,1-2H3,(H,29,32)(H,35,36)(H,30,31,33)/t20-,25+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465274 (US10793564, Compound 63 | US11419869, Compound 63 ...) Show SMILES CC(=O)NCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C28H37N7O3/c1-20(36)29-15-18-35(16-5-4-8-22-12-11-21-7-6-14-30-26(21)33-22)17-13-25(28(37)38)34-27-23-9-2-3-10-24(23)31-19-32-27/h2-3,9-12,19,25H,4-8,13-18H2,1H3,(H,29,36)(H,30,33)(H,37,38)(H,31,32,34)/t25-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465275 (US10793564, Compound 64 | US11419869, Compound 64 ...) Show SMILES CN(C)C(=O)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C28H37N7O3/c1-34(2)25(36)18-35(16-6-5-9-21-13-12-20-8-7-15-29-26(20)32-21)17-14-24(28(37)38)33-27-22-10-3-4-11-23(22)30-19-31-27/h3-4,10-13,19,24H,5-9,14-18H2,1-2H3,(H,29,32)(H,37,38)(H,30,31,33)/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465276 (US10793564, Compound 65 | US11419869, Compound 65 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C29H39FN6O3/c1-19(39-3)18-36(15-5-4-8-23-11-9-21-7-6-14-31-27(21)34-23)16-13-25(29(37)38)35-28-24-12-10-22(30)17-26(24)32-20(2)33-28/h9-12,17,19,25H,4-8,13-16,18H2,1-3H3,(H,31,34)(H,37,38)(H,32,33,35)/t19-,25+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465277 (US10793564, Compound 66 | US11419869, Compound 66 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2ccccc12)C(O)=O Show InChI InChI=1S/C29H40N6O3/c1-20(38-3)19-35(17-7-6-10-23-14-13-22-9-8-16-30-27(22)33-23)18-15-26(29(36)37)34-28-24-11-4-5-12-25(24)31-21(2)32-28/h4-5,11-14,20,26H,6-10,15-19H2,1-3H3,(H,30,33)(H,36,37)(H,31,32,34)/t20-,26+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465278 (US10793564, Compound 67 | US11419869, Compound 67 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nccnc1C#N)C(O)=O Show InChI InChI=1S/C24H33N7O3/c1-34-16-15-31(13-3-2-6-19-8-7-18-5-4-10-27-22(18)29-19)14-9-20(24(32)33)30-23-21(17-25)26-11-12-28-23/h7-8,11-12,20H,2-6,9-10,13-16H2,1H3,(H,27,29)(H,28,30)(H,32,33)/t20-/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 A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465279 (US10793564, Compound 68 | US11419869, Compound 68 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C#N)C(O)=O Show InChI InChI=1S/C25H35N7O3/c1-18(35-2)17-32(12-4-3-7-21-9-8-20-6-5-11-27-23(20)30-21)13-10-22(24(33)34)31-25-28-15-19(14-26)16-29-25/h8-9,15-16,18,22H,3-7,10-13,17H2,1-2H3,(H,27,30)(H,33,34)(H,28,29,31)/t18-,22+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465280 (US10793564, Compound 69 | US11419869, Compound 69 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C25H35F3N6O3/c1-17(37-2)16-34(12-4-3-7-20-9-8-18-6-5-11-29-22(18)32-20)13-10-21(23(35)36)33-24-30-14-19(15-31-24)25(26,27)28/h8-9,14-15,17,21H,3-7,10-13,16H2,1-2H3,(H,29,32)(H,35,36)(H,30,31,33)/t17-,21+/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
TBA					Assay Description A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465281 (US10793564, Compound 70 | US11419869, Compound 70 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(Br)cn1)C(O)=O Show InChI InChI=1S/C24H35BrN6O3/c1-17(34-2)16-31(13-10-21(23(32)33)30-24-27-14-19(25)15-28-24)12-4-3-7-20-9-8-18-6-5-11-26-22(18)29-20/h8-9,14-15,17,21H,3-7,10-13,16H2,1-2H3,(H,26,29)(H,32,33)(H,27,28,30)/t17-,21+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465282 (US10793564, Compound 71 | US11419869, Compound 71 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2[nH]ncc12)C(O)=O Show InChI InChI=1S/C25H36N8O3/c1-17(36-2)15-33(12-4-3-7-19-9-8-18-6-5-11-26-22(18)30-19)13-10-21(25(34)35)31-23-20-14-29-32-24(20)28-16-27-23/h8-9,14,16-17,21H,3-7,10-13,15H2,1-2H3,(H,26,30)(H,34,35)(H2,27,28,29,31,32)/t17-,21+/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
TBA					Assay Description A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465283 (US10793564, Compound 72 | US11419869, Compound 72 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C25H35F3N6O3/c1-17(37-2)16-34(14-4-3-7-19-9-8-18-6-5-12-29-22(18)31-19)15-11-20(23(35)36)32-21-10-13-30-24(33-21)25(26,27)28/h8-10,13,17,20H,3-7,11-12,14-16H2,1-2H3,(H,29,31)(H,35,36)(H,30,32,33)/t17-,20+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465284 (US10793564, Compound 73 | US11419869, Compound 73 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C30H40N6O3/c1-22(39-2)21-36(19-7-6-12-25-14-13-24-11-8-17-31-28(24)33-25)20-16-26(30(37)38)34-27-15-18-32-29(35-27)23-9-4-3-5-10-23/h3-5,9-10,13-15,18,22,26H,6-8,11-12,16-17,19-21H2,1-2H3,(H,31,33)(H,37,38)(H,32,34,35)/t22-,26+/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
TBA					Assay Description A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465285 (US10793564, Compound 74 | US11419869, Compound 74 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2n(C)ncc12)C(O)=O Show InChI InChI=1S/C26H38N8O3/c1-18(37-3)16-34(13-5-4-8-20-10-9-19-7-6-12-27-23(19)31-20)14-11-22(26(35)36)32-24-21-15-30-33(2)25(21)29-17-28-24/h9-10,15,17-18,22H,4-8,11-14,16H2,1-3H3,(H,27,31)(H,35,36)(H,28,29,32)/t18-,22+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465286 (US10793564, Compound 75 | US11419869, Compound 75 ...) Show SMILES OCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C26H34N6O3/c33-17-16-32(14-4-3-7-20-11-10-19-6-5-13-27-24(19)30-20)15-12-23(26(34)35)31-25-21-8-1-2-9-22(21)28-18-29-25/h1-2,8-11,18,23,33H,3-7,12-17H2,(H,27,30)(H,34,35)(H,28,29,31)/t23-/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 A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465287 (US10793564, Compound 76 | US11419869, Compound 76 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nccnc1C#N)C(O)=O Show InChI InChI=1S/C25H35N7O3/c1-18(35-2)17-32(14-4-3-7-20-9-8-19-6-5-11-28-23(19)30-20)15-10-21(25(33)34)31-24-22(16-26)27-12-13-29-24/h8-9,12-13,18,21H,3-7,10-11,14-15,17H2,1-2H3,(H,28,30)(H,29,31)(H,33,34)/t18-,21+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465288 (US10793564, Compound 77 | US11419869, Compound 77 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-n1cccn1)C(O)=O Show InChI InChI=1S/C27H38N8O3/c1-20(38-2)18-34(14-4-3-8-22-10-9-21-7-5-12-28-26(21)32-22)16-11-23(27(36)37)33-24-17-25(30-19-29-24)35-15-6-13-31-35/h6,9-10,13,15,17,19-20,23H,3-5,7-8,11-12,14,16,18H2,1-2H3,(H,28,32)(H,36,37)(H,29,30,33)/t20-,23+/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
TBA					Assay Description A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465289 (US10793564, Compound 78 | US11419869, Compound 78 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(F)cn1)C(O)=O Show InChI InChI=1S/C24H35FN6O3/c1-17(34-2)16-31(13-10-21(23(32)33)30-24-27-14-19(25)15-28-24)12-4-3-7-20-9-8-18-6-5-11-26-22(18)29-20/h8-9,14-15,17,21H,3-7,10-13,16H2,1-2H3,(H,26,29)(H,32,33)(H,27,28,30)/t17-,21+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465290 (US10793564, Compound 79 | US11419869, Compound 79 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cn[nH]c12)C(O)=O Show InChI InChI=1S/C25H36N8O3/c1-17(36-2)15-33(12-4-3-7-19-9-8-18-6-5-11-26-23(18)30-19)13-10-20(25(34)35)31-24-22-21(14-29-32-22)27-16-28-24/h8-9,14,16-17,20H,3-7,10-13,15H2,1-2H3,(H,26,30)(H,29,32)(H,34,35)(H,27,28,31)/t17-,20+/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
TBA					Assay Description A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465291 (US10793564, Compound 80 | US11419869, Compound 80 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C30H40N6O3/c1-22(39-2)20-36(17-7-6-12-25-14-13-24-11-8-16-31-29(24)34-25)18-15-26(30(37)38)35-28-19-27(32-21-33-28)23-9-4-3-5-10-23/h3-5,9-10,13-14,19,21-22,26H,6-8,11-12,15-18,20H2,1-2H3,(H,31,34)(H,37,38)(H,32,33,35)/t22-,26+/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
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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM566530 (US11419869, Compound 81 | US11560376, Compound 81 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncncc1-c1ccccc1)C(O)=O |r| Show InChI	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 A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465293 (US10793564, Compound 82 | US11419869, Compound 82 ...) Show SMILES Cn1ncc2c(N[C@@H](CCN(CCCCc3ccc4CCCNc4n3)CCOc3ccccc3)C(O)=O)ncnc12 Show InChI InChI=1S/C30H38N8O3/c1-37-29-25(20-34-37)28(32-21-33-29)36-26(30(39)40)14-17-38(18-19-41-24-10-3-2-4-11-24)16-6-5-9-23-13-12-22-8-7-15-31-27(22)35-23/h2-4,10-13,20-21,26H,5-9,14-19H2,1H3,(H,31,35)(H,39,40)(H,32,33,36)/t26-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465294 (US10793564, Compound 83 | US11419869, Compound 83 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncc(Br)cn1 Show InChI InChI=1S/C28H35BrN6O3/c29-22-19-31-28(32-20-22)34-25(27(36)37)13-16-35(17-18-38-24-9-2-1-3-10-24)15-5-4-8-23-12-11-21-7-6-14-30-26(21)33-23/h1-3,9-12,19-20,25H,4-8,13-18H2,(H,30,33)(H,36,37)(H,31,32,34)/t25-/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 A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465300 (US10793564, Compound 89 | US11419869, Compound 89 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncc(cn1)C(F)(F)F Show InChI InChI=1S/C29H35F3N6O3/c30-29(31,32)22-19-34-28(35-20-22)37-25(27(39)40)13-16-38(17-18-41-24-9-2-1-3-10-24)15-5-4-8-23-12-11-21-7-6-14-33-26(21)36-23/h1-3,9-12,19-20,25H,4-8,13-18H2,(H,33,36)(H,39,40)(H,34,35,37)/t25-/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 A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465301 (US10793564, Compound 90 | US11419869, Compound 90 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncnc2[nH]ncc12 Show InChI InChI=1S/C29H36N8O3/c38-29(39)25(35-27-24-19-33-36-28(24)32-20-31-27)13-16-37(17-18-40-23-9-2-1-3-10-23)15-5-4-8-22-12-11-21-7-6-14-30-26(21)34-22/h1-3,9-12,19-20,25H,4-8,13-18H2,(H,30,34)(H,38,39)(H2,31,32,33,35,36)/t25-/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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465302 (US10793564, Compound 91 | US11419869, Compound 91 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1cc(ncn1)-n1cccn1 Show InChI InChI=1S/C31H38N8O3/c40-31(41)27(37-28-22-29(34-23-33-28)39-18-7-16-35-39)14-19-38(20-21-42-26-10-2-1-3-11-26)17-5-4-9-25-13-12-24-8-6-15-32-30(24)36-25/h1-3,7,10-13,16,18,22-23,27H,4-6,8-9,14-15,17,19-21H2,(H,32,36)(H,40,41)(H,33,34,37)/t27-/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 A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair

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