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Compile Data Set for Download or QSAR

Found 658 hits of ic50 for UniProtKB: P26010   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260669
PNG
(US9533985, 57)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C31H23F2N9O7S/c1-40-25-14-34-9-8-21(25)29(44)42(31(40)47)19-4-2-17(3-5-19)10-24(30(45)46)38-28(43)27-22(32)11-18(12-23(27)33)39-50(48,49)26-7-6-20(13-36-26)41-16-35-15-37-41/h2-9,11-16,24,39H,10H2,1H3,(H,38,43)(H,45,46)/t24-/s2
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.0600n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260666
PNG
(US9533985, 54)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C33H24F2N8O7S/c1-42-27-16-36-9-8-23(27)31(45)43(33(42)48)22-5-2-18(3-6-22)10-26(32(46)47)40-30(44)29-24(34)11-21(12-25(29)35)41-51(49,50)28-7-4-19(15-39-28)20-13-37-17-38-14-20/h2-9,11-17,26,41H,10H2,1H3,(H,40,44)(H,46,47)/t26-/s2
PDB
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US Patent
n/an/a 0.0770n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260683
PNG
(US9533985, 71)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4ccnn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C31H23F2N9O7S/c1-40-25-16-34-9-8-21(25)29(44)42(31(40)47)19-4-2-17(3-5-19)12-24(30(45)46)37-28(43)27-22(32)13-18(14-23(27)33)38-50(48,49)26-7-6-20(15-35-26)41-11-10-36-39-41/h2-11,13-16,24,38H,12H2,1H3,(H,37,43)(H,45,46)/t24-/s2
PDB
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n/an/a 0.0980n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260680
PNG
(US9533985, 68)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccnc(F)c4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C35H25F3N6O7S/c1-43-29-18-39-12-11-25(29)33(46)44(35(43)49)23-6-2-19(3-7-23)14-28(34(47)48)41-32(45)31-26(36)16-22(17-27(31)37)42-52(50,51)24-8-4-20(5-9-24)21-10-13-40-30(38)15-21/h2-13,15-18,28,42H,14H2,1H3,(H,41,45)(H,47,48)/t28-/s2
PDB
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US Patent
n/an/a 0.130n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260671
PNG
(US9533985, 59)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4nccs4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C32H23F2N7O7S2/c1-40-25-16-35-9-8-21(25)30(43)41(32(40)46)20-5-2-17(3-6-20)12-24(31(44)45)38-28(42)27-22(33)13-19(14-23(27)34)39-50(47,48)26-7-4-18(15-37-26)29-36-10-11-49-29/h2-11,13-16,24,39H,12H2,1H3,(H,38,42)(H,44,45)/t24-/s2
PDB
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US Patent
n/an/a 0.170n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260681
PNG
(US9533985, 69)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C4=CCNCC4)cc3F)C(O)=O)cc2)c1=O |r,t:37|
Show InChI InChI=1/C35H30F2N6O7S/c1-42-30-19-39-15-12-26(30)33(45)43(35(42)48)24-6-2-20(3-7-24)16-29(34(46)47)40-32(44)31-27(36)17-23(18-28(31)37)41-51(49,50)25-8-4-21(5-9-25)22-10-13-38-14-11-22/h2-10,12,15,17-19,29,38,41H,11,13-14,16H2,1H3,(H,40,44)(H,46,47)/t29-/s2
PDB
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US Patent
n/an/a 0.210n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260660
PNG
(US9533985, 48)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncc[nH]4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C33H25F2N7O7S/c1-41-27-17-36-11-10-23(27)31(44)42(33(41)47)21-6-2-18(3-7-21)14-26(32(45)46)39-30(43)28-24(34)15-20(16-25(28)35)40-50(48,49)22-8-4-19(5-9-22)29-37-12-13-38-29/h2-13,15-17,26,40H,14H2,1H3,(H,37,38)(H,39,43)(H,45,46)/t26-/s2
PDB
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US Patent
n/an/a 0.240n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260653
PNG
(US9533985, 41)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C34H25F2N7O7S/c1-42-28-18-37-14-11-24(28)32(45)43(34(42)48)22-7-3-19(4-8-22)15-27(33(46)47)40-31(44)29-25(35)16-21(17-26(29)36)41-51(49,50)23-9-5-20(6-10-23)30-38-12-2-13-39-30/h2-14,16-18,27,41H,15H2,1H3,(H,40,44)(H,46,47)/t27-/s2
PDB
MMDB

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US Patent
n/an/a 0.260n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260667
PNG
(US9533985, 55)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(nc4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C31H23F2N9O7S/c1-40-25-14-34-9-8-21(25)29(44)42(31(40)47)19-4-2-17(3-5-19)10-24(30(45)46)38-28(43)27-22(32)11-18(12-23(27)33)39-50(48,49)20-6-7-26(36-13-20)41-16-35-15-37-41/h2-9,11-16,24,39H,10H2,1H3,(H,38,43)(H,45,46)/t24-/s2
PDB
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US Patent
n/an/a 0.270n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260654
PNG
(US9533985, 42)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(nc4)-c4ccncc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C34H25F2N7O7S/c1-42-29-18-38-13-10-24(29)32(45)43(34(42)48)22-4-2-19(3-5-22)14-28(33(46)47)40-31(44)30-25(35)15-21(16-26(30)36)41-51(49,50)23-6-7-27(39-17-23)20-8-11-37-12-9-20/h2-13,15-18,28,41H,14H2,1H3,(H,40,44)(H,46,47)/t28-/s2
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US Patent
n/an/a 0.270n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260689
PNG
(US9533985, 77)
Show SMILES Cn1cnc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-c5ncccn5)cc4F)C(O)=O)cc3)c(=O)c12 |r|
Show InChI InChI=1/C33H26F2N8O7S/c1-41-17-38-29-27(41)31(45)43(33(48)42(29)2)21-8-4-18(5-9-21)14-25(32(46)47)39-30(44)26-23(34)15-20(16-24(26)35)40-51(49,50)22-10-6-19(7-11-22)28-36-12-3-13-37-28/h3-13,15-17,25,40H,14H2,1-2H3,(H,39,44)(H,46,47)/t25-/s2
PDB
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US Patent
n/an/a 0.270n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314067
PNG
(US9610264, Compound 4)
Show SMILES O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1
PDB
MMDB

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US Patent
n/an/a 0.270n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260662
PNG
(US9533985, 50)
Show SMILES Cc1ccc(cn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
Show InChI InChI=1/C36H28F2N6O7S/c1-20-3-6-23(18-40-20)22-7-11-26(12-8-22)52(50,51)42-24-16-28(37)32(29(38)17-24)33(45)41-30(35(47)48)15-21-4-9-25(10-5-21)44-34(46)27-13-14-39-19-31(27)43(2)36(44)49/h3-14,16-19,30,42H,15H2,1-2H3,(H,41,45)(H,47,48)/t30-/s2
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n/an/a 0.320n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260659
PNG
(US9533985, 47)
Show SMILES CN(C)c1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-n5cncn5)cc4F)C(O)=O)cc3)c(=O)c2c1 |r|
Show InChI InChI=1/C35H30F2N8O7S/c1-42(2)24-10-13-30-26(17-24)33(47)45(35(50)43(30)3)23-6-4-20(5-7-23)14-29(34(48)49)40-32(46)31-27(36)15-21(16-28(31)37)41-53(51,52)25-11-8-22(9-12-25)44-19-38-18-39-44/h4-13,15-19,29,41H,14H2,1-3H3,(H,40,46)(H,48,49)/t29-/s2
PDB
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n/an/a 0.320n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314059
PNG
(US9610264, Compound 1)
Show SMILES O=C(CCc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1
PDB
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n/an/a 0.330n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260687
PNG
(US9533985, 75)
Show SMILES Cn1cnc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-c5ccncc5)cc4F)C(O)=O)cc3)c(=O)c12 |r|
Show InChI InChI=1/C34H27F2N7O7S/c1-41-18-38-30-29(41)32(45)43(34(48)42(30)2)23-7-3-19(4-8-23)15-27(33(46)47)39-31(44)28-25(35)16-22(17-26(28)36)40-51(49,50)24-9-5-20(6-10-24)21-11-13-37-14-12-21/h3-14,16-18,27,40H,15H2,1-2H3,(H,39,44)(H,46,47)/t27-/s2
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n/an/a 0.380n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260686
PNG
(US9533985, 74)
Show SMILES Cc1cc(ccn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3ncn(C)c3c2=O)C(O)=O)c(F)c1 |r|
Show InChI InChI=1/C35H29F2N7O7S/c1-19-14-22(12-13-38-19)21-6-10-25(11-7-21)52(50,51)41-23-16-26(36)29(27(37)17-23)32(45)40-28(34(47)48)15-20-4-8-24(9-5-20)44-33(46)30-31(39-18-42(30)2)43(3)35(44)49/h4-14,16-18,28,41H,15H2,1-3H3,(H,40,45)(H,47,48)/t28-/s2
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n/an/a 0.390n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260682
PNG
(US9533985, 70)
Show SMILES Cc1cc(cc(C)n1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
Show InChI InChI=1/C37H30F2N6O7S/c1-20-14-24(15-21(2)41-20)23-6-10-27(11-7-23)53(51,52)43-25-17-29(38)33(30(39)18-25)34(46)42-31(36(48)49)16-22-4-8-26(9-5-22)45-35(47)28-12-13-40-19-32(28)44(3)37(45)50/h4-15,17-19,31,43H,16H2,1-3H3,(H,42,46)(H,48,49)/t31-/s2
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n/an/a 0.410n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260661
PNG
(US9533985, 49)
Show SMILES Cc1cc(ccn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
Show InChI InChI=1/C36H28F2N6O7S/c1-20-15-23(11-14-40-20)22-5-9-26(10-6-22)52(50,51)42-24-17-28(37)32(29(38)18-24)33(45)41-30(35(47)48)16-21-3-7-25(8-4-21)44-34(46)27-12-13-39-19-31(27)43(2)36(44)49/h3-15,17-19,30,42H,16H2,1-2H3,(H,41,45)(H,47,48)/t30-/s2
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n/an/a 0.430n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314070
PNG
(US9610264, Compound 6)
Show SMILES CC(N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1)C(=O)NC1CC1
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n/an/a 0.460n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260673
PNG
(US9533985, 61)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4nccn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C32H24F2N8O7S/c1-40-27-17-35-11-10-23(27)30(44)41(32(40)47)20-4-2-18(3-5-20)14-26(31(45)46)38-29(43)28-24(33)15-19(16-25(28)34)39-50(48,49)22-8-6-21(7-9-22)42-36-12-13-37-42/h2-13,15-17,26,39H,14H2,1H3,(H,38,43)(H,45,46)/t26-/s2
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n/an/a 0.460n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260679
PNG
(US9533985, 67)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccncc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C35H26F2N6O7S/c1-42-30-19-39-15-12-26(30)33(45)43(35(42)48)24-6-2-20(3-7-24)16-29(34(46)47)40-32(44)31-27(36)17-23(18-28(31)37)41-51(49,50)25-8-4-21(5-9-25)22-10-13-38-14-11-22/h2-15,17-19,29,41H,16H2,1H3,(H,40,44)(H,46,47)/t29-/s2
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n/an/a 0.550n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260677
PNG
(US9533985, 65)
Show SMILES Cc1cnccc1-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
Show InChI InChI=1/C36H28F2N6O7S/c1-20-18-39-13-11-26(20)22-5-9-25(10-6-22)52(50,51)42-23-16-28(37)32(29(38)17-23)33(45)41-30(35(47)48)15-21-3-7-24(8-4-21)44-34(46)27-12-14-40-19-31(27)43(2)36(44)49/h3-14,16-19,30,42H,15H2,1-2H3,(H,41,45)(H,47,48)/t30-/s2
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n/an/a 0.560n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
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 |r,wU:12.14,16.17,TLB:13:12:8.7:10.11,THB:3:5:8.7:10.11,(8.58,-11.96,;9.91,-11.19,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
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/an/a4



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...


Bioorg Med Chem 13: 6693-702 (2005)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2TD9VM1
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314068
PNG
(US9610264, Compound 5)
Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O)c1ccccc1
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n/an/a 0.610n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260656
PNG
(US9533985, 44)
Show SMILES CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)ccn(C)c2=O)C(O)=O)c(F)c1 |r|
Show InChI InChI=1/C30H27F2N5O8S/c1-3-33-27(39)18-6-10-21(11-7-18)46(44,45)35-19-15-22(31)26(23(32)16-19)28(40)34-24(29(41)42)14-17-4-8-20(9-5-17)37-25(38)12-13-36(2)30(37)43/h4-13,15-16,24,35H,3,14H2,1-2H3,(H,33,39)(H,34,40)(H,41,42)/t24-/s2
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n/an/a 0.620n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314068
PNG
(US9610264, Compound 5)
Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O)c1ccccc1
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n/an/a 0.640n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260674
PNG
(US9533985, 62)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4cccn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C33H25F2N7O7S/c1-40-28-18-36-13-11-24(28)31(44)42(33(40)47)22-5-3-19(4-6-22)15-27(32(45)46)38-30(43)29-25(34)16-20(17-26(29)35)39-50(48,49)23-9-7-21(8-10-23)41-14-2-12-37-41/h2-14,16-18,27,39H,15H2,1H3,(H,38,43)(H,45,46)/t27-/s2
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n/an/a 0.640n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260683
PNG
(US9533985, 71)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4ccnn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C31H23F2N9O7S/c1-40-25-16-34-9-8-21(25)29(44)42(31(40)47)19-4-2-17(3-5-19)12-24(30(45)46)37-28(43)27-22(32)13-18(14-23(27)33)38-50(48,49)26-7-6-20(15-35-26)41-11-10-36-39-41/h2-11,13-16,24,38H,12H2,1H3,(H,37,43)(H,45,46)/t24-/s2
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n/an/a 0.720n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM65394
PNG
(US9533985, 159 | US9533985, 40)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4ncccn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C30H23F2N7O7S/c1-38-12-9-25(40)39(30(38)44)20-6-3-17(4-7-20)13-23(29(42)43)36-28(41)26-21(31)14-19(15-22(26)32)37-47(45,46)24-8-5-18(16-35-24)27-33-10-2-11-34-27/h2-12,14-16,23,37H,13H2,1H3,(H,36,41)(H,42,43)/t23-/s2
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n/an/a 0.730n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(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 |r|
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 0.75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]MAdCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cells


Bioorg Med Chem Lett 11: 2709-13 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14V4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260690
PNG
(US9533985, 78)
Show SMILES COc1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)C(=O)NC5CC5)cc4F)C(O)=O)cc3)c(=O)c2c1 |r|
Show InChI InChI=1/C36H31F2N5O9S/c1-42-30-14-11-24(52-2)18-26(30)34(46)43(36(42)49)23-9-3-19(4-10-23)15-29(35(47)48)40-33(45)31-27(37)16-22(17-28(31)38)41-53(50,51)25-12-5-20(6-13-25)32(44)39-21-7-8-21/h3-6,9-14,16-18,21,29,41H,7-8,15H2,1-2H3,(H,39,44)(H,40,45)(H,47,48)/t29-/s2
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n/an/a 0.790n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260675
PNG
(US9533985, 63)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C30H23F2N7O7S/c1-38-9-8-26(40)39(30(38)44)21-5-2-17(3-6-21)10-24(29(42)43)36-28(41)27-22(31)11-20(12-23(27)32)37-47(45,46)25-7-4-18(15-35-25)19-13-33-16-34-14-19/h2-9,11-16,24,37H,10H2,1H3,(H,36,41)(H,42,43)/t24-/s2
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n/an/a 0.800n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260651
PNG
(US9533985, 39)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccncc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C29H23FN6O7S/c1-35-25-16-32-13-10-22(25)27(38)36(29(35)41)19-5-2-17(3-6-19)14-24(28(39)40)33-26(37)21-7-4-18(15-23(21)30)34-44(42,43)20-8-11-31-12-9-20/h2-13,15-16,24,34H,14H2,1H3,(H,33,37)(H,39,40)/t24-/s2
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n/an/a 0.830n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314065
PNG
(US9610264, Compound 2)
Show SMILES Fc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
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n/an/a 0.890n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260655
PNG
(US9533985, 43)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4cccc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C34H26F2N6O7S/c1-40-29-19-37-13-12-25(29)32(44)42(34(40)47)23-6-4-20(5-7-23)16-28(33(45)46)38-31(43)30-26(35)17-21(18-27(30)36)39-50(48,49)24-10-8-22(9-11-24)41-14-2-3-15-41/h2-15,17-19,28,39H,16H2,1H3,(H,38,43)(H,45,46)/t28-/s2
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n/an/a 0.900n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260685
PNG
(US9533985, 73)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4ccnn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C28H22F2N8O7S/c1-36-10-8-24(39)38(28(36)43)18-4-2-16(3-5-18)12-22(27(41)42)33-26(40)25-20(29)13-17(14-21(25)30)34-46(44,45)23-7-6-19(15-31-23)37-11-9-32-35-37/h2-11,13-15,22,34H,12H2,1H3,(H,33,40)(H,41,42)/t22-/s2
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n/an/a 0.950n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM65383
PNG
(BDBM260657 | US9533985, 157)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CC4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C31H27F2N5O8S/c1-37-13-12-26(39)38(31(37)44)21-8-2-17(3-9-21)14-25(30(42)43)35-29(41)27-23(32)15-20(16-24(27)33)36-47(45,46)22-10-4-18(5-11-22)28(40)34-19-6-7-19/h2-5,8-13,15-16,19,25,36H,6-7,14H2,1H3,(H,34,40)(H,35,41)(H,42,43)/t25-/s2
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n/an/a 0.970n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314071
PNG
(US9610264, Compound 7)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1=O)c1ccc(F)cc1
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n/an/a 0.980n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260670
PNG
(US9533985, 58)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4ccnn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C29H23F2N7O7S/c1-36-12-10-25(39)38(29(36)43)20-4-2-17(3-5-20)14-24(28(41)42)33-27(40)26-22(30)15-18(16-23(26)31)34-46(44,45)21-8-6-19(7-9-21)37-13-11-32-35-37/h2-13,15-16,24,34H,14H2,1H3,(H,33,40)(H,41,42)/t24-/s2
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n/an/a 1n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260672
PNG
(US9533985, 60)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C31H24F2N6O7S/c1-38-11-10-27(40)39(31(38)44)22-6-2-18(3-7-22)12-26(30(42)43)36-29(41)28-24(32)13-21(14-25(28)33)37-47(45,46)23-8-4-19(5-9-23)20-15-34-17-35-16-20/h2-11,13-17,26,37H,12H2,1H3,(H,36,41)(H,42,43)/t26-/s2
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n/an/a 1.10n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260658
PNG
(US9533985, 46)
Show SMILES COc1cc2c(cn1)n(C)c(=O)n(-c1ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)cc1)c2=O |r|
Show InChI InChI=1/C35H27F2N7O8S/c1-43-28-18-40-29(52-2)17-24(28)33(46)44(35(43)49)22-8-4-19(5-9-22)14-27(34(47)48)41-32(45)30-25(36)15-21(16-26(30)37)42-53(50,51)23-10-6-20(7-11-23)31-38-12-3-13-39-31/h3-13,15-18,27,42H,14H2,1-2H3,(H,41,45)(H,47,48)/t27-/s2
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n/an/a 1.10n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314072
PNG
(US9610264, Compound 8)
Show SMILES CC(C)C(=O)Cc1cccc(c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1
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n/an/a 1.23n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260681
PNG
(US9533985, 69)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C4=CCNCC4)cc3F)C(O)=O)cc2)c1=O |r,t:37|
Show InChI InChI=1/C35H30F2N6O7S/c1-42-30-19-39-15-12-26(30)33(45)43(35(42)48)24-6-2-20(3-7-24)16-29(34(46)47)40-32(44)31-27(36)17-23(18-28(31)37)41-51(49,50)25-8-4-21(5-9-25)22-10-13-38-14-11-22/h2-10,12,15,17-19,29,38,41H,11,13-14,16H2,1H3,(H,40,44)(H,46,47)/t29-/s2
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n/an/a 1.30n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260669
PNG
(US9533985, 57)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C31H23F2N9O7S/c1-40-25-14-34-9-8-21(25)29(44)42(31(40)47)19-4-2-17(3-5-19)10-24(30(45)46)38-28(43)27-22(32)11-18(12-23(27)33)39-50(48,49)26-7-6-20(13-36-26)41-16-35-15-37-41/h2-9,11-16,24,39H,10H2,1H3,(H,38,43)(H,45,46)/t24-/s2
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n/an/a 1.5n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314074
PNG
(US9610264, Compound 9)
Show SMILES CC1CCCCN1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1
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n/an/a 1.53n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260666
PNG
(US9533985, 54)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C33H24F2N8O7S/c1-42-27-16-36-9-8-23(27)31(45)43(33(42)48)22-5-2-18(3-6-22)10-26(32(46)47)40-30(44)29-24(34)11-21(12-25(29)35)41-51(49,50)28-7-4-19(15-39-28)20-13-37-17-38-14-20/h2-9,11-17,26,41H,10H2,1H3,(H,40,44)(H,46,47)/t26-/s2
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n/an/a 1.60n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260684
PNG
(US9533985, 72)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4nccn4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C28H22F2N8O7S/c1-36-11-8-24(39)37(28(36)43)18-4-2-16(3-5-18)12-22(27(41)42)34-26(40)25-20(29)13-17(14-21(25)30)35-46(44,45)23-7-6-19(15-31-23)38-32-9-10-33-38/h2-11,13-15,22,35H,12H2,1H3,(H,34,40)(H,41,42)/t22-/s2
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n/an/a 1.60n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260678
PNG
(US9533985, 66)
Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccoc4)cc3F)C(O)=O)cc2)c1=O |r|
Show InChI InChI=1/C34H25F2N5O8S/c1-40-29-17-37-12-10-25(29)32(43)41(34(40)46)23-6-2-19(3-7-23)14-28(33(44)45)38-31(42)30-26(35)15-22(16-27(30)36)39-50(47,48)24-8-4-20(5-9-24)21-11-13-49-18-21/h2-13,15-18,28,39H,14H2,1H3,(H,38,42)(H,44,45)/t28-/s2
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n/an/a 1.60n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


Assay Description
The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM314075
PNG
(US9610264, Compound 10)
Show SMILES O=C(NCc1ccccc1)c1ccccc1NC(=O)c1cccc(c1)N(=O)=O
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n/an/a 1.64n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent




US Patent US9610264 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QD4
More data for this
Ligand-Target Pair
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