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Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'miyazawa' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/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
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

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GoogleScholar
PC cid
PC sid
UniChem
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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))
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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))
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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))
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/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-/m0/s1
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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
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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
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
Show InChI InChI=1S/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-/m0/s1
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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
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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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))
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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327436
PNG
(N-(3-{(1R,5S,6r)-3-[3-(1-ethoxy-4,4-difluorocycloh...)
Show SMILES CCOC1(CCCN2C[C@H]3[C@@H](C2)C3(CC)c2cccc(NS(=O)(=O)C3CC3)c2)CCC(F)(F)CC1
Show InChI InChI=1S/C27H40F2N2O3S/c1-3-27(20-7-5-8-21(17-20)30-35(32,33)22-9-10-22)23-18-31(19-24(23)27)16-6-11-25(34-4-2)12-14-26(28,29)15-13-25/h5,7-8,17,22-24,30H,3-4,6,9-16,18-19H2,1-2H3/t23-,24+,27?
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n/an/a 1.30n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
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
Show InChI InChI=1S/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-/m0/s1
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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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327428
PNG
( N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoro-1-methoxycycl...)
Show SMILES CCC1([C@H]2CN(CCCC3(CCC(F)(F)CC3)OC)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C26H38F2N2O3S/c1-3-26(19-6-4-7-20(16-19)29-34(31,32)21-8-9-21)22-17-30(18-23(22)26)15-5-10-24(33-2)11-13-25(27,28)14-12-24/h4,6-7,16,21-23,29H,3,5,8-15,17-18H2,1-2H3/t22-,23+,26?
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n/an/a 1.30n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327443
PNG
(N-{3-[(1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexan-6-y...)
Show SMILES CCC1([C@H]2CNC[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C16H22N2O2S/c1-2-16(14-9-17-10-15(14)16)11-4-3-5-12(8-11)18-21(19,20)13-6-7-13/h3-5,8,13-15,17-18H,2,6-7,9-10H2,1H3/t14-,15+,16?
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n/an/a 1.30n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327429
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoropiperidin-1-yl)...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)CC3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C24H35F2N3O2S/c1-2-24(18-5-3-6-19(15-18)27-32(30,31)20-7-8-20)21-16-29(17-22(21)24)12-4-11-28-13-9-23(25,26)10-14-28/h3,5-6,15,20-22,27H,2,4,7-14,16-17H2,1H3/t21-,22+,24?
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n/an/a 1.40n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327426
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluorocyclohexyl)prop...)
Show SMILES CCC1([C@H]2CN(CCCC3CCC(F)(F)CC3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C25H36F2N2O2S/c1-2-25(19-6-3-7-20(15-19)28-32(30,31)21-8-9-21)22-16-29(17-23(22)25)14-4-5-18-10-12-24(26,27)13-11-18/h3,6-7,15,18,21-23,28H,2,4-5,8-14,16-17H2,1H3/t22-,23+,25?
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n/an/a 1.5n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327423
PNG
( N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-hydroxy-2,3-dihydr...)
Show SMILES CCC1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C26H32N2O3S/c1-2-26(20-8-5-9-21(12-20)27-32(30,31)22-10-11-22)23-15-28(16-24(23)26)17-25(29)13-18-6-3-4-7-19(18)14-25/h3-9,12,22-24,27,29H,2,10-11,13-17H2,1H3/t23-,24+,26?
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Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
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
Show InChI InChI=1S/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-/m0/s1
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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
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
Show InChI InChI=1S/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-/m0/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327427
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluorocyclohexyl)prop...)
Show SMILES CCC1([C@H]2CN(CCCC3CCC(F)(F)CC3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C25H35F3N2O2S/c1-2-25(20-14-18(5-8-23(20)26)29-33(31,32)19-6-7-19)21-15-30(16-22(21)25)13-3-4-17-9-11-24(27,28)12-10-17/h5,8,14,17,19,21-22,29H,2-4,6-7,9-13,15-16H2,1H3/t21-,22+,25?
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n/an/a 1.60n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
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
Show InChI InChI=1S/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-/m0/s1
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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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327437
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoropiperidin-1-yl)...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)CC3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C24H34F3N3O2S/c1-2-24(19-14-17(4-7-22(19)25)28-33(31,32)18-5-6-18)20-15-30(16-21(20)24)11-3-10-29-12-8-23(26,27)9-13-29/h4,7,14,18,20-21,28H,2-3,5-6,8-13,15-16H2,1H3/t20-,21+,24?
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Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327424
PNG
(N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-hydroxy-2,3-dihydro...)
Show SMILES CCC1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C26H31FN2O3S/c1-2-26(21-11-19(7-10-24(21)27)28-33(31,32)20-8-9-20)22-14-29(15-23(22)26)16-25(30)12-17-5-3-4-6-18(17)13-25/h3-7,10-11,20,22-23,28,30H,2,8-9,12-16H2,1H3/t22-,23+,26?
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Sanwa Kagaku Kenkyusho Co., Ltd

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
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))
BDBM260676
PNG
(US9533985, 64)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4cccc4)cc3F)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C31H25F2N5O7S/c1-36-15-12-27(39)38(31(36)43)22-6-4-19(5-7-22)16-26(30(41)42)34-29(40)28-24(32)17-20(18-25(28)33)35-46(44,45)23-10-8-21(9-11-23)37-13-2-3-14-37/h2-15,17-18,26,35H,16H2,1H3,(H,34,40)(H,41,42)/t26-/m0/s1
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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))
BDBM260668
PNG
(US9533985, 56)
Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O
Show InChI InChI=1S/C28H22F2N8O7S/c1-36-9-8-24(39)38(28(36)43)18-4-2-16(3-5-18)10-22(27(41)42)34-26(40)25-20(29)11-17(12-21(25)30)35-46(44,45)23-7-6-19(13-32-23)37-15-31-14-33-37/h2-9,11-15,22,35H,10H2,1H3,(H,34,40)(H,41,42)/t22-/m0/s1
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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))
BDBM260688
PNG
(US9533985, 76)
Show SMILES Cn1cnc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-n5cccc5)cc4F)C(O)=O)cc3)c(=O)c12
Show InChI InChI=1S/C33H27F2N7O7S/c1-39-18-36-29-28(39)31(44)42(33(47)40(29)2)22-7-5-19(6-8-22)15-26(32(45)46)37-30(43)27-24(34)16-20(17-25(27)35)38-50(48,49)23-11-9-21(10-12-23)41-13-3-4-14-41/h3-14,16-18,26,38H,15H2,1-2H3,(H,37,43)(H,45,46)/t26-/m0/s1
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n/an/a 2.20n/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
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