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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha4beta7' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16839
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H28Cl2N4O6/c27-18-12-29-13-19(28)22(18)24(35)30-16-5-1-14(2-6-16)11-20(26(37)38)31-25(36)23-15-3-7-17(8-4-15)32(23)21(34)9-10-33/h1-2,5-6,12-13,15,17,20,23,33H,3-4,7-11H2,(H,30,35)(H,31,36)(H,37,38)/t15?,17?,20-,23-/m0/s1
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n/an/a 0.600n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16817
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[5-(2-...)
Show SMILES Cn1ncc(OCCO)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C23H21Cl2N3O6/c1-28-22(31)19(18(12-26-28)34-10-9-29)14-7-5-13(6-8-14)11-17(23(32)33)27-21(30)20-15(24)3-2-4-16(20)25/h2-8,12,17,29H,9-11H2,1H3,(H,27,30)(H,32,33)/t17-/m0/s1
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n/an/a 2n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16812
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(5-eth...)
Show SMILES CCOc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C23H21Cl2N3O5/c1-3-33-18-12-26-28(2)22(30)19(18)14-9-7-13(8-10-14)11-17(23(31)32)27-21(29)20-15(24)5-4-6-16(20)25/h4-10,12,17H,3,11H2,1-2H3,(H,27,29)(H,31,32)/t17-/m0/s1
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n/an/a 2n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16810
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-(4-{5-met...)
Show SMILES COc1cnn(CCN2CCOCC2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C27H28Cl2N4O6/c1-38-22-16-30-33(10-9-32-11-13-39-14-12-32)26(35)23(22)18-7-5-17(6-8-18)15-21(27(36)37)31-25(34)24-19(28)3-2-4-20(24)29/h2-8,16,21H,9-15H2,1H3,(H,31,34)(H,36,37)/t21-/m0/s1
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n/an/a 2n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16809
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[2-(2-...)
Show SMILES COc1cnn(CCO)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C23H21Cl2N3O6/c1-34-18-12-26-28(9-10-29)22(31)19(18)14-7-5-13(6-8-14)11-17(23(32)33)27-21(30)20-15(24)3-2-4-16(20)25/h2-8,12,17,29H,9-11H2,1H3,(H,27,30)(H,32,33)/t17-/m0/s1
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n/an/a 2n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16816
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[2-met...)
Show SMILES Cn1ncc(N2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C25H24Cl2N4O5/c1-30-24(33)21(20(14-28-30)31-9-11-36-12-10-31)16-7-5-15(6-8-16)13-19(25(34)35)29-23(32)22-17(26)3-2-4-18(22)27/h2-8,14,19H,9-13H2,1H3,(H,29,32)(H,34,35)/t19-/m0/s1
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n/an/a 3n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16818
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-(4-{2-met...)
Show SMILES Cn1ncc(OCCN2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C27H28Cl2N4O6/c1-32-26(35)23(22(16-30-32)39-14-11-33-9-12-38-13-10-33)18-7-5-17(6-8-18)15-21(27(36)37)31-25(34)24-19(28)3-2-4-20(24)29/h2-8,16,21H,9-15H2,1H3,(H,31,34)(H,36,37)/t21-/m0/s1
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n/an/a 3n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16802
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(5-met...)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C22H19Cl2N3O5/c1-27-21(29)18(17(32-2)11-25-27)13-8-6-12(7-9-13)10-16(22(30)31)26-20(28)19-14(23)4-3-5-15(19)24/h3-9,11,16H,10H2,1-2H3,(H,26,28)(H,30,31)/t16-/m0/s1
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n/an/a 3n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16858
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CSc1ccncc1
Show InChI InChI=1S/C30H29Cl2N5O5S/c31-22-14-34-15-23(32)26(22)28(39)35-19-5-1-17(2-6-19)13-24(30(41)42)36-29(40)27-18-3-7-20(8-4-18)37(27)25(38)16-43-21-9-11-33-12-10-21/h1-2,5-6,9-12,14-15,18,20,24,27H,3-4,7-8,13,16H2,(H,35,39)(H,36,40)(H,41,42)/t18?,20?,24-,27-/m0/s1
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n/an/a 6n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16843
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCc1ccccc1
Show InChI InChI=1S/C32H32Cl2N4O5/c33-24-17-35-18-25(34)28(24)30(40)36-22-11-6-20(7-12-22)16-26(32(42)43)37-31(41)29-21-9-13-23(14-10-21)38(29)27(39)15-8-19-4-2-1-3-5-19/h1-7,11-12,17-18,21,23,26,29H,8-10,13-16H2,(H,36,40)(H,37,41)(H,42,43)/t21?,23?,26-,29-/m0/s1
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n/an/a 7n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16855
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES COc1ccc(CCC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc1
Show InChI InChI=1S/C33H34Cl2N4O6/c1-45-24-13-4-19(5-14-24)6-15-28(40)39-23-11-7-21(8-12-23)30(39)32(42)38-27(33(43)44)16-20-2-9-22(10-3-20)37-31(41)29-25(34)17-36-18-26(29)35/h2-5,9-10,13-14,17-18,21,23,27,30H,6-8,11-12,15-16H2,1H3,(H,37,41)(H,38,42)(H,43,44)/t21?,23?,27-,30-/m0/s1
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n/an/a 7n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16813
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[5-(di...)
Show SMILES Cn1ncc(OC(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C22H17Cl2F2N3O5/c1-29-20(31)17(16(10-27-29)34-22(25)26)12-7-5-11(6-8-12)9-15(21(32)33)28-19(30)18-13(23)3-2-4-14(18)24/h2-8,10,15,22H,9H2,1H3,(H,28,30)(H,32,33)/t15-/m0/s1
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n/an/a 8n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16857
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CSc1ccccn1
Show InChI InChI=1S/C30H29Cl2N5O5S/c31-21-14-33-15-22(32)26(21)28(39)35-19-8-4-17(5-9-19)13-23(30(41)42)36-29(40)27-18-6-10-20(11-7-18)37(27)25(38)16-43-24-3-1-2-12-34-24/h1-5,8-9,12,14-15,18,20,23,27H,6-7,10-11,13,16H2,(H,35,39)(H,36,40)(H,41,42)/t18?,20?,23-,27-/m0/s1
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n/an/a 10n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16819
PNG
((2S)-3-{4-[5-(cyclohexyloxy)-2-methyl-3-oxo-2,3-di...)
Show SMILES Cn1ncc(OC2CCCCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C27H27Cl2N3O5/c1-32-26(34)23(22(15-30-32)37-18-6-3-2-4-7-18)17-12-10-16(11-13-17)14-21(27(35)36)31-25(33)24-19(28)8-5-9-20(24)29/h5,8-13,15,18,21H,2-4,6-7,14H2,1H3,(H,31,33)(H,35,36)/t21-/m0/s1
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n/an/a 11n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16814
PNG
((2S)-3-[4-(5-amino-2-methyl-3-oxo-2,3-dihydropyrid...)
Show SMILES Cn1ncc(N)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C21H18Cl2N4O4/c1-27-20(29)17(15(24)10-25-27)12-7-5-11(6-8-12)9-16(21(30)31)26-19(28)18-13(22)3-2-4-14(18)23/h2-8,10,16H,9,24H2,1H3,(H,26,28)(H,30,31)/t16-/m0/s1
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n/an/a 13n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16833
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES CC(C)CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C29H34Cl2N4O5/c1-16(2)3-12-24(36)35-20-10-6-18(7-11-20)26(35)28(38)34-23(29(39)40)13-17-4-8-19(9-5-17)33-27(37)25-21(30)14-32-15-22(25)31/h4-5,8-9,14-16,18,20,23,26H,3,6-7,10-13H2,1-2H3,(H,33,37)(H,34,38)(H,39,40)/t18?,20?,23-,26-/m0/s1
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n/an/a 15n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16815
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[2-met...)
Show SMILES Cn1ncc(N2CCCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C25H24Cl2N4O4/c1-30-24(33)21(20(14-28-30)31-11-2-3-12-31)16-9-7-15(8-10-16)13-19(25(34)35)29-23(32)22-17(26)5-4-6-18(22)27/h4-10,14,19H,2-3,11-13H2,1H3,(H,29,32)(H,34,35)/t19-/m0/s1
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n/an/a 16n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16825
PNG
((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)CC(C)C)C(O)=O)cc1
Show InChI InChI=1S/C21H28N4O5/c1-13(2)12-24(3)21(29)23-16(20(27)28)10-14-6-8-15(9-7-14)18-17(30-5)11-22-25(4)19(18)26/h6-9,11,13,16H,10,12H2,1-5H3,(H,23,29)(H,27,28)/t16-/m0/s1
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n/an/a 17n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16806
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(5-met...)
Show SMILES COc1cnn(-c2ccccc2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C27H21Cl2N3O5/c1-37-22-15-30-32(18-6-3-2-4-7-18)26(34)23(22)17-12-10-16(11-13-17)14-21(27(35)36)31-25(33)24-19(28)8-5-9-20(24)29/h2-13,15,21H,14H2,1H3,(H,31,33)(H,35,36)/t21-/m0/s1
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n/an/a 18n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16866
PNG
((2S)-2-[(3S)-2-azabicyclo[2.2.2]octan-3-ylformamid...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@H]1NC2CCC1CC2
Show InChI InChI=1S/C23H24Cl2N4O4/c24-16-10-26-11-17(25)19(16)21(30)28-15-5-1-12(2-6-15)9-18(23(32)33)29-22(31)20-13-3-7-14(27-20)8-4-13/h1-2,5-6,10-11,13-14,18,20,27H,3-4,7-9H2,(H,28,30)(H,29,31)(H,32,33)/t13?,14?,18-,20-/m0/s1
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n/an/a 23n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16856
PNG
((2S)-2-{[(3S)-2-[(benzyloxy)carbonyl]-2-azabicyclo...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H30Cl2N4O6/c32-23-15-34-16-24(33)26(23)28(38)35-21-10-6-18(7-11-21)14-25(30(40)41)36-29(39)27-20-8-12-22(13-9-20)37(27)31(42)43-17-19-4-2-1-3-5-19/h1-7,10-11,15-16,20,22,25,27H,8-9,12-14,17H2,(H,35,38)(H,36,39)(H,40,41)/t20?,22?,25-,27-/m0/s1
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n/an/a 24n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16854
PNG
((2S)-2-{[(3S)-2-[3-(4-chlorophenyl)propanoyl]-2-az...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C32H31Cl3N4O5/c33-21-8-1-18(2-9-21)5-14-27(40)39-23-12-6-20(7-13-23)29(39)31(42)38-26(32(43)44)15-19-3-10-22(11-4-19)37-30(41)28-24(34)16-36-17-25(28)35/h1-4,8-11,16-17,20,23,26,29H,5-7,12-15H2,(H,37,41)(H,38,42)(H,43,44)/t20?,23?,26-,29-/m0/s1
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n/an/a 24n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16834
PNG
((2S)-2-{[(3S)-2-(3-cyclopentylpropanoyl)-2-azabicy...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCC1CCCC1
Show InChI InChI=1S/C31H36Cl2N4O5/c32-23-16-34-17-24(33)27(23)29(39)35-21-10-5-19(6-11-21)15-25(31(41)42)36-30(40)28-20-8-12-22(13-9-20)37(28)26(38)14-7-18-3-1-2-4-18/h5-6,10-11,16-18,20,22,25,28H,1-4,7-9,12-15H2,(H,35,39)(H,36,40)(H,41,42)/t20?,22?,25-,28-/m0/s1
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n/an/a 27n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16826
PNG
((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N2CCCCC2C)C(O)=O)cc1
Show InChI InChI=1S/C22H28N4O5/c1-14-6-4-5-11-26(14)22(30)24-17(21(28)29)12-15-7-9-16(10-8-15)19-18(31-3)13-23-25(2)20(19)27/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,24,30)(H,28,29)/t14?,17-/m0/s1
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n/an/a 29n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16836
PNG
((2S)-2-{[(3S)-2-(3-{[(tert-butoxy)carbonyl]amino}p...)
Show SMILES CC(C)(C)OC(=O)NCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C31H37Cl2N5O7/c1-31(2,3)45-30(44)35-13-12-24(39)38-20-10-6-18(7-11-20)26(38)28(41)37-23(29(42)43)14-17-4-8-19(9-5-17)36-27(40)25-21(32)15-34-16-22(25)33/h4-5,8-9,15-16,18,20,23,26H,6-7,10-14H2,1-3H3,(H,35,44)(H,36,40)(H,37,41)(H,42,43)/t18?,20?,23-,26-/m0/s1
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n/an/a 30n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16844
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1cccs1
Show InChI InChI=1S/C29H28Cl2N4O5S/c30-21-14-32-15-22(31)25(21)27(37)33-18-7-3-16(4-8-18)12-23(29(39)40)34-28(38)26-17-5-9-19(10-6-17)35(26)24(36)13-20-2-1-11-41-20/h1-4,7-8,11,14-15,17,19,23,26H,5-6,9-10,12-13H2,(H,33,37)(H,34,38)(H,39,40)/t17?,19?,23-,26-/m0/s1
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n/an/a 30n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16846
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CN1CCOCC1
Show InChI InChI=1S/C29H33Cl2N5O6/c30-21-14-32-15-22(31)25(21)27(38)33-19-5-1-17(2-6-19)13-23(29(40)41)34-28(39)26-18-3-7-20(8-4-18)36(26)24(37)16-35-9-11-42-12-10-35/h1-2,5-6,14-15,18,20,23,26H,3-4,7-13,16H2,(H,33,38)(H,34,39)(H,40,41)/t18?,20?,23-,26-/m0/s1
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n/an/a 30n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16852
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1ccncc1
Show InChI InChI=1S/C30H29Cl2N5O5/c31-22-15-34-16-23(32)26(22)28(39)35-20-5-1-17(2-6-20)13-24(30(41)42)36-29(40)27-19-3-7-21(8-4-19)37(27)25(38)14-18-9-11-33-12-10-18/h1-2,5-6,9-12,15-16,19,21,24,27H,3-4,7-8,13-14H2,(H,35,39)(H,36,40)(H,41,42)/t19?,21?,24-,27-/m0/s1
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n/an/a 32n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16850
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1ccccn1
Show InChI InChI=1S/C30H29Cl2N5O5/c31-22-15-33-16-23(32)26(22)28(39)35-19-8-4-17(5-9-19)13-24(30(41)42)36-29(40)27-18-6-10-21(11-7-18)37(27)25(38)14-20-3-1-2-12-34-20/h1-5,8-9,12,15-16,18,21,24,27H,6-7,10-11,13-14H2,(H,35,39)(H,36,40)(H,41,42)/t18?,21?,24-,27-/m0/s1
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n/an/a 32n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16861
PNG
((2S)-2-{[(3S)-2-(benzylcarbamoyl)-2-azabicyclo[2.2...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H31Cl2N5O5/c32-23-16-34-17-24(33)26(23)28(39)36-21-10-6-18(7-11-21)14-25(30(41)42)37-29(40)27-20-8-12-22(13-9-20)38(27)31(43)35-15-19-4-2-1-3-5-19/h1-7,10-11,16-17,20,22,25,27H,8-9,12-15H2,(H,35,43)(H,36,39)(H,37,40)(H,41,42)/t20?,22?,25-,27-/m0/s1
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n/an/a 38n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16845
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1ccsc1
Show InChI InChI=1S/C29H28Cl2N4O5S/c30-21-13-32-14-22(31)25(21)27(37)33-19-5-1-16(2-6-19)11-23(29(39)40)34-28(38)26-18-3-7-20(8-4-18)35(26)24(36)12-17-9-10-41-15-17/h1-2,5-6,9-10,13-15,18,20,23,26H,3-4,7-8,11-12H2,(H,33,37)(H,34,38)(H,39,40)/t18?,20?,23-,26-/m0/s1
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n/an/a 41n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16804
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(5-met...)
Show SMILES COc1cn[nH]c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C21H17Cl2N3O5/c1-31-16-10-24-26-20(28)17(16)12-7-5-11(6-8-12)9-15(21(29)30)25-19(27)18-13(22)3-2-4-14(18)23/h2-8,10,15H,9H2,1H3,(H,25,27)(H,26,28)(H,29,30)/t15-/m0/s1
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n/an/a 41n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16808
PNG
((2S)-3-[4-(2-tert-butyl-5-methoxy-3-oxo-2,3-dihydr...)
Show SMILES COc1cnn(c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C25H25Cl2N3O5/c1-25(2,3)30-23(32)20(19(35-4)13-28-30)15-10-8-14(9-11-15)12-18(24(33)34)29-22(31)21-16(26)6-5-7-17(21)27/h5-11,13,18H,12H2,1-4H3,(H,29,31)(H,33,34)/t18-/m0/s1
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n/an/a 42n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM17223
PNG
((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H28Cl2N4O6S/c30-24-15-19(16-25(31)34-24)27(36)32-20-10-6-17(7-11-20)14-23(29(38)39)33-28(37)26-18-8-12-21(13-9-18)35(26)42(40,41)22-4-2-1-3-5-22/h1-7,10-11,15-16,18,21,23,26H,8-9,12-14H2,(H,32,36)(H,33,37)(H,38,39)/t18?,21?,23-,26-/m0/s1
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n/an/a 46n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16853
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCc1ccccc1F
Show InChI InChI=1S/C32H31Cl2FN4O5/c33-23-16-36-17-24(34)28(23)30(41)37-21-10-5-18(6-11-21)15-26(32(43)44)38-31(42)29-20-7-12-22(13-8-20)39(29)27(40)14-9-19-3-1-2-4-25(19)35/h1-6,10-11,16-17,20,22,26,29H,7-9,12-15H2,(H,37,41)(H,38,42)(H,43,44)/t20?,22?,26-,29-/m0/s1
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n/an/a 46n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16840
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES CC(C)(O)CC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H32Cl2N4O6/c1-28(2,40)12-22(35)34-18-9-5-16(6-10-18)24(34)26(37)33-21(27(38)39)11-15-3-7-17(8-4-15)32-25(36)23-19(29)13-31-14-20(23)30/h3-4,7-8,13-14,16,18,21,24,40H,5-6,9-12H2,1-2H3,(H,32,36)(H,33,37)(H,38,39)/t16?,18?,21-,24-/m0/s1
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n/an/a 47n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16811
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(5-hyd...)
Show SMILES Cn1ncc(O)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C21H17Cl2N3O5/c1-26-20(29)17(16(27)10-24-26)12-7-5-11(6-8-12)9-15(21(30)31)25-19(28)18-13(22)3-2-4-14(18)23/h2-8,10,15,27H,9H2,1H3,(H,25,28)(H,30,31)/t15-/m0/s1
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n/an/a 49n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


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More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16801
PNG
((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-d...)
Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C24H21Cl2NO5/c1-31-19-7-4-8-20(32-2)21(19)15-11-9-14(10-12-15)13-18(24(29)30)27-23(28)22-16(25)5-3-6-17(22)26/h3-12,18H,13H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1
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n/an/a 58n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


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More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16837
PNG
((2S)-2-{[(3S)-2-(3-aminopropanoyl)-2-azabicyclo[2....)
Show SMILES NCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H29Cl2N5O5/c27-18-12-30-13-19(28)22(18)24(35)31-16-5-1-14(2-6-16)11-20(26(37)38)32-25(36)23-15-3-7-17(8-4-15)33(23)21(34)9-10-29/h1-2,5-6,12-13,15,17,20,23H,3-4,7-11,29H2,(H,31,35)(H,32,36)(H,37,38)/t15?,17?,20-,23-/m0/s1
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n/an/a 60n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16851
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1cccnc1
Show InChI InChI=1S/C30H29Cl2N5O5/c31-22-15-34-16-23(32)26(22)28(39)35-20-7-3-17(4-8-20)12-24(30(41)42)36-29(40)27-19-5-9-21(10-6-19)37(27)25(38)13-18-2-1-11-33-14-18/h1-4,7-8,11,14-16,19,21,24,27H,5-6,9-10,12-13H2,(H,35,39)(H,36,40)(H,41,42)/t19?,21?,24-,27-/m0/s1
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n/an/a 62n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16820
PNG
((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C23H24N4O5/c1-26(17-7-5-4-6-8-17)23(31)25-18(22(29)30)13-15-9-11-16(12-10-15)20-19(32-3)14-24-27(2)21(20)28/h4-12,14,18H,13H2,1-3H3,(H,25,31)(H,29,30)/t18-/m0/s1
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n/an/a 63n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16821
PNG
((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C(C)C)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H28N4O5/c1-16(2)29(19-8-6-5-7-9-19)25(33)27-20(24(31)32)14-17-10-12-18(13-11-17)22-21(34-4)15-26-28(3)23(22)30/h5-13,15-16,20H,14H2,1-4H3,(H,27,33)(H,31,32)/t20-/m0/s1
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n/an/a 92n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16867
PNG
((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H29Cl2N3O6S/c31-23-7-4-8-24(32)26(23)28(36)33-20-13-9-18(10-14-20)17-25(30(38)39)34-29(37)27-19-11-15-21(16-12-19)35(27)42(40,41)22-5-2-1-3-6-22/h1-10,13-14,19,21,25,27H,11-12,15-17H2,(H,33,36)(H,34,37)(H,38,39)/t19?,21?,25-,27-/m0/s1
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n/an/a 94n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16862
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES CC(C)(C)CCN1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C29H36Cl2N4O4/c1-29(2,3)12-13-35-20-10-6-18(7-11-20)25(35)27(37)34-23(28(38)39)14-17-4-8-19(9-5-17)33-26(36)24-21(30)15-32-16-22(24)31/h4-5,8-9,15-16,18,20,23,25H,6-7,10-14H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t18?,20?,23-,25-/m0/s1
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n/an/a 94n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16824
PNG
((2S)-2-{[(2-hydroxyethyl)(methyl)carbamoyl]amino}-...)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)CCO)C(O)=O)cc1
Show InChI InChI=1S/C19H24N4O6/c1-22(8-9-24)19(28)21-14(18(26)27)10-12-4-6-13(7-5-12)16-15(29-3)11-20-23(2)17(16)25/h4-7,11,14,24H,8-10H2,1-3H3,(H,21,28)(H,26,27)/t14-/m0/s1
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n/an/a 94n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16805
PNG
((2S)-3-[4-(2-benzyl-5-methoxy-3-oxo-2,3-dihydropyr...)
Show SMILES COc1cnn(Cc2ccccc2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C28H23Cl2N3O5/c1-38-23-15-31-33(16-18-6-3-2-4-7-18)27(35)24(23)19-12-10-17(11-13-19)14-22(28(36)37)32-26(34)25-20(29)8-5-9-21(25)30/h2-13,15,22H,14,16H2,1H3,(H,32,34)(H,36,37)/t22-/m0/s1
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n/an/a 100n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16841
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES COCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H30Cl2N4O6/c1-39-11-10-22(34)33-18-8-4-16(5-9-18)24(33)26(36)32-21(27(37)38)12-15-2-6-17(7-3-15)31-25(35)23-19(28)13-30-14-20(23)29/h2-3,6-7,13-14,16,18,21,24H,4-5,8-12H2,1H3,(H,31,35)(H,32,36)(H,37,38)/t16?,18?,21-,24-/m0/s1
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n/an/a 110n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM17224
PNG
((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1C(=O)c2ccccc2C1=O)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H29N3O7S/c35-28(27-20-12-16-22(17-13-20)34(27)42(40,41)23-6-2-1-3-7-23)32-26(31(38)39)18-19-10-14-21(15-11-19)33-29(36)24-8-4-5-9-25(24)30(33)37/h1-11,14-15,20,22,26-27H,12-13,16-18H2,(H,32,35)(H,38,39)/t20?,22?,26-,27-/m0/s1
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n/an/a 110n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16830
PNG
((2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[2-(2-h...)
Show SMILES COc1cnn(CCO)c(=O)c1-c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(O)=O)cc1
Show InChI InChI=1S/C21H27N3O7/c1-21(2,3)31-20(29)23-15(19(27)28)11-13-5-7-14(8-6-13)17-16(30-4)12-22-24(9-10-25)18(17)26/h5-8,12,15,25H,9-11H2,1-4H3,(H,23,29)(H,27,28)/t15-/m0/s1
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n/an/a 110n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha4beta7


(Homo sapiens (human))
BDBM16847
PNG
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Show SMILES COc1ccc(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc1
Show InChI InChI=1S/C32H32Cl2N4O6/c1-44-23-12-4-19(5-13-23)15-27(39)38-22-10-6-20(7-11-22)29(38)31(41)37-26(32(42)43)14-18-2-8-21(9-3-18)36-30(40)28-24(33)16-35-17-25(28)34/h2-5,8-9,12-13,16-17,20,22,26,29H,6-7,10-11,14-15H2,1H3,(H,36,40)(H,37,41)(H,42,43)/t20?,22?,26-,29-/m0/s1
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n/an/a 110n/an/an/an/a7.422



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


Citation and Details
More data for this
Ligand-Target Pair
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