Compile Data Set for Download or QSAR

Found 145 hits Enz. Inhib. hit(s) with all data for entry = 9421   

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-5/beta-6 (Homo sapiens (Human))	BDBM465216 (US10793564, Compound 5 | US10793564, Compound 55 |...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465218 (US10793564, Compound 7 | US11419869, Compound 7 | ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C27H35FN6O3/c1-37-16-15-34(13-3-2-6-21-9-7-19-5-4-12-29-25(19)32-21)14-11-23(27(35)36)33-26-22-10-8-20(28)17-24(22)30-18-31-26/h7-10,17-18,23H,2-6,11-16H2,1H3,(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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465221 (US10793564, Compound 10 | US11419869, Compound 10 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2ccccc12)C(O)=O Show InChI InChI=1S/C28H38N6O3/c1-20-30-24-11-4-3-10-23(24)27(31-20)33-25(28(35)36)14-17-34(18-19-37-2)16-6-5-9-22-13-12-21-8-7-15-29-26(21)32-22/h3-4,10-13,25H,5-9,14-19H2,1-2H3,(H,29,32)(H,35,36)(H,30,31,33)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465222 (US10793564, Compound 11 | US11419869, Compound 11 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ncccc12)C(O)=O Show InChI InChI=1S/C26H35N7O3/c1-36-17-16-33(14-3-2-7-20-10-9-19-6-4-12-27-23(19)31-20)15-11-22(26(34)35)32-25-21-8-5-13-28-24(21)29-18-30-25/h5,8-10,13,18,22H,2-4,6-7,11-12,14-17H2,1H3,(H,27,31)(H,34,35)(H,28,29,30,32)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465225 (US10793564, Compound 14 | US11419869, Compound 14 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(nc2ccccc12)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H35F3N6O3/c1-40-18-17-37(15-5-4-8-20-12-11-19-7-6-14-32-24(19)33-20)16-13-23(26(38)39)34-25-21-9-2-3-10-22(21)35-27(36-25)28(29,30)31/h2-3,9-12,23H,4-8,13-18H2,1H3,(H,32,33)(H,38,39)(H,34,35,36)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465226 (US10793564, Compound 15 | US11419869, Compound 15 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(cccc12)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H35F3N6O3/c1-40-17-16-37(14-3-2-7-20-11-10-19-6-5-13-32-25(19)35-20)15-12-23(27(38)39)36-26-21-8-4-9-22(28(29,30)31)24(21)33-18-34-26/h4,8-11,18,23H,2-3,5-7,12-17H2,1H3,(H,32,35)(H,38,39)(H,33,34,36)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465227 (US10793564, Compound 16 | US11419869, Compound 16 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O Show InChI InChI=1S/C26H35N7O3/c1-36-17-16-33(14-3-2-7-20-10-9-19-6-4-13-28-24(19)31-20)15-11-22(26(34)35)32-25-23-21(29-18-30-25)8-5-12-27-23/h5,8-10,12,18,22H,2-4,6-7,11,13-17H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465228 (US10793564, Compound 17 | US11419869, Compound 17 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cnccc12)C(O)=O Show InChI InChI=1S/C26H35N7O3/c1-36-16-15-33(13-3-2-6-20-8-7-19-5-4-11-28-24(19)31-20)14-10-22(26(34)35)32-25-21-9-12-27-17-23(21)29-18-30-25/h7-9,12,17-18,22H,2-6,10-11,13-16H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465229 (US10793564, Compound 18 | US11419869, Compound 18 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccc(F)c12)C(O)=O Show InChI InChI=1S/C27H35FN6O3/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)33-26-24-21(28)8-4-9-22(24)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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465230 (US10793564, Compound 19 | US11419869, Compound 19 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccc(F)cc12)C(O)=O Show InChI InChI=1S/C27H35FN6O3/c1-37-16-15-34(13-3-2-6-21-9-7-19-5-4-12-29-25(19)32-21)14-11-24(27(35)36)33-26-22-17-20(28)8-10-23(22)30-18-31-26/h7-10,17-18,24H,2-6,11-16H2,1H3,(H,29,32)(H,35,36)(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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465231 (US10793564, Compound 20 | US11419869, Compound 20 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(F)cccc12)C(O)=O Show InChI InChI=1S/C27H35FN6O3/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465232 (US10793564, Compound 21 | US11419869, Compound 21 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cc(F)c(F)cc12)C(O)=O Show InChI InChI=1S/C27H34F2N6O3/c1-38-14-13-35(11-3-2-6-19-8-7-18-5-4-10-30-25(18)33-19)12-9-23(27(36)37)34-26-20-15-21(28)22(29)16-24(20)31-17-32-26/h7-8,15-17,23H,2-6,9-14H2,1H3,(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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465233 (US10793564, Compound 22 | US11419869, Compound 22 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(nc(C)n1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C25H35F3N6O3/c1-17-30-21(25(26,27)28)16-22(31-17)33-20(24(35)36)10-13-34(14-15-37-2)12-4-3-7-19-9-8-18-6-5-11-29-23(18)32-19/h8-9,16,20H,3-7,10-15H2,1-2H3,(H,29,32)(H,35,36)(H,30,31,33)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465234 (US10793564, Compound 23 | US11419869, Compound 23 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)C(F)F)C(O)=O Show InChI InChI=1S/C24H34F2N6O3/c1-35-14-13-32(11-3-2-6-18-8-7-17-5-4-10-27-23(17)30-18)12-9-19(24(33)34)31-21-15-20(22(25)26)28-16-29-21/h7-8,15-16,19,22H,2-6,9-14H2,1H3,(H,27,30)(H,33,34)(H,28,29,31)/t19-/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 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465235 (US10793564, Compound 24 | US11419869, Compound 24 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C24H33F3N6O3/c1-36-16-15-33(13-3-2-6-18-8-7-17-5-4-11-28-21(17)30-18)14-10-19(22(34)35)31-20-9-12-29-23(32-20)24(25,26)27/h7-9,12,19H,2-6,10-11,13-16H2,1H3,(H,28,30)(H,34,35)(H,29,31,32)/t19-/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 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465236 (US10793564, Compound 25 | US11419869, Compound 25 ...) 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-/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 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465237 (US10793564, Compound 26 | US11419869, Compound 26 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(C)nc(n1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C25H35F3N6O3/c1-17-16-21(33-24(30-17)25(26,27)28)32-20(23(35)36)10-13-34(14-15-37-2)12-4-3-7-19-9-8-18-6-5-11-29-22(18)31-19/h8-9,16,20H,3-7,10-15H2,1-2H3,(H,29,31)(H,35,36)(H,30,32,33)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465238 (US10793564, Compound 27 | US11419869, Compound 27 ...) Show SMILES CS(=O)(=O)CCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C27H36N6O4S/c1-38(36,37)18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465239 (US10793564, Compound 28 | US11419869, Compound 28 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C32H38N6O3/c39-32(40)29(37-31-27-13-4-5-14-28(27)34-23-35-31)17-20-38(21-22-41-26-11-2-1-3-12-26)19-7-6-10-25-16-15-24-9-8-18-33-30(24)36-25/h1-5,11-16,23,29H,6-10,17-22H2,(H,33,36)(H,39,40)(H,34,35,37)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465240 (US10793564, Compound 29 | US11419869, Compound 29 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCC(F)F)Nc1ncnc2ccccc12 Show InChI InChI=1S/C27H34F2N6O2/c28-24(29)13-17-35(15-4-3-7-20-11-10-19-6-5-14-30-25(19)33-20)16-12-23(27(36)37)34-26-21-8-1-2-9-22(21)31-18-32-26/h1-2,8-11,18,23-24H,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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465241 (US10793564, Compound 30 | US11419869, Compound 30 ...) Show SMILES OC(=O)[C@H](CCN(CCCF)CCCCc1ccc2CCCNc2n1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C27H35FN6O2/c28-14-6-17-34(16-4-3-8-21-12-11-20-7-5-15-29-25(20)32-21)18-13-24(27(35)36)33-26-22-9-1-2-10-23(22)30-19-31-26/h1-2,9-12,19,24H,3-8,13-18H2,(H,29,32)(H,35,36)(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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465242 (US10793564, Compound 31 | US11419869, Compound 31 ...) Show SMILES COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C28H37FN6O3/c1-38-18-21(29)17-35(15-5-4-8-22-12-11-20-7-6-14-30-26(20)33-22)16-13-25(28(36)37)34-27-23-9-2-3-10-24(23)31-19-32-27/h2-3,9-12,19,21,25H,4-8,13-18H2,1H3,(H,30,33)(H,36,37)(H,31,32,34)/t21-,25-/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 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465243 (US10793564, Compound 32 | US11419869, Compound 32 ...) Show SMILES COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C29H38F2N6O3/c1-19-33-26-16-21(30)9-11-24(26)28(34-19)36-25(29(38)39)12-15-37(17-22(31)18-40-2)14-4-3-7-23-10-8-20-6-5-13-32-27(20)35-23/h8-11,16,22,25H,3-7,12-15,17-18H2,1-2H3,(H,32,35)(H,38,39)(H,33,34,36)/t22-,25-/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 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465244 (US10793564, Compound 33 | US11419869, Compound 33 ...) Show SMILES Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CC2CC(F)(F)C2)C(O)=O)c2ccc(F)cc2n1 Show InChI InChI=1S/C30H37F3N6O2/c1-19-35-26-15-22(31)8-10-24(26)28(36-19)38-25(29(40)41)11-14-39(18-20-16-30(32,33)17-20)13-3-2-6-23-9-7-21-5-4-12-34-27(21)37-23/h7-10,15,20,25H,2-6,11-14,16-18H2,1H3,(H,34,37)(H,40,41)(H,35,36,38)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465216 (US10793564, Compound 5 | US10793564, Compound 55 |...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O Show InChI InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-5/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
PLIANT THERAPEUTICS, INC. US Patent					Assay Description Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair

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