Found 466 hits with Last Name = 'kashi' and Initial = 'r' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM580
((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...)Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1 | PDB
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UniProtKB/SwissProt
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GoogleScholar
AffyNet 
| MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM579
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1 | PDB
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| CHEMBL
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PC cid
PC sid
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Patents
Similars
| MMDB
PDB
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Type-2 angiotensin II receptor
(RAT) | BDBM50421796
(CHEMBL5286105)Show InChI InChI=1S/C11H10I2N4O/c12-7-2-5(3-8(13)9(7)18)1-6-4-16-11(15)17-10(6)14/h2-4,18H,1H2,(H4,14,15,16,17) | PDB
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| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM50421795
(CHEMBL5274111)Show InChI InChI=1S/C17H25N5/c1-4-10(3)14-8-11(6-12(5-2)15(14)18)7-13-9-21-17(20)22-16(13)19/h6,8-10H,4-5,7,18H2,1-3H3,(H4,19,20,21,22) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(RAT) | BDBM50421795
(CHEMBL5274111)Show InChI InChI=1S/C17H25N5/c1-4-10(3)14-8-11(6-12(5-2)15(14)18)7-13-9-21-17(20)22-16(13)19/h6,8-10H,4-5,7,18H2,1-3H3,(H4,19,20,21,22) | PDB
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| | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50406931
(RENTIAPRIL)Show InChI InChI=1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)/t9-,12+/m0/s1 | PDB
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Similars
| | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(RAT) | BDBM50421797
(CHEMBL5286767)Show SMILES Nc1ncc(Cc2cc(I)c(OCCCOc3ccccc3)c(I)c2)c(N)n1 Show InChI InChI=1S/C20H20I2N4O2/c21-16-10-13(9-14-12-25-20(24)26-19(14)23)11-17(22)18(16)28-8-4-7-27-15-5-2-1-3-6-15/h1-3,5-6,10-12H,4,7-9H2,(H4,23,24,25,26) | PDB
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| | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM50421797
(CHEMBL5286767)Show SMILES Nc1ncc(Cc2cc(I)c(OCCCOc3ccccc3)c(I)c2)c(N)n1 Show InChI InChI=1S/C20H20I2N4O2/c21-16-10-13(9-14-12-25-20(24)26-19(14)23)11-17(22)18(16)28-8-4-7-27-15-5-2-1-3-6-15/h1-3,5-6,10-12H,4,7-9H2,(H4,23,24,25,26) | PDB
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| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM50421796
(CHEMBL5286105)Show InChI InChI=1S/C11H10I2N4O/c12-7-2-5(3-8(13)9(7)18)1-6-4-16-11(15)17-10(6)14/h2-4,18H,1H2,(H4,14,15,16,17) | PDB
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| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260669
(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=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
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| PC cid
PC sid
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| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260666
(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=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
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| PC cid
PC sid
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| US Patent
| n/a | n/a | 0.0770 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50342242
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H64N8O8/c1-5-24(4)32(36(51)44-30(38(53)54)21-23(2)3)45-34(49)29(22-25-14-16-26(47)17-15-25)43-35(50)31-13-10-20-46(31)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,23-24,27-32,47H,5-13,18-22,39-41H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1 | PDB
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| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260683
(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=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
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0980 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260680
(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=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
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130880
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1 | PDB
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| | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260671
(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=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
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260681
(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=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
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260660
(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| | PDB
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260653
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260667
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260654
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260689
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50421791
(CHEMBL5267798)Show InChI InChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19) | PDB
MMDB
Reactome pathway
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Similars
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260662
(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=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
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B.MOAD
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260659
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260687
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260686
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260682
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260661
(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=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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260673
(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=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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50342242
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H64N8O8/c1-5-24(4)32(36(51)44-30(38(53)54)21-23(2)3)45-34(49)29(22-25-14-16-26(47)17-15-25)43-35(50)31-13-10-20-46(31)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,23-24,27-32,47H,5-13,18-22,39-41H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1 | Reactome pathway
KEGG
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DrugBank
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| Purchase
CHEMBL
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PC cid
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UniChem
Similars
| | n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50421792
(CHEMBL5287917)Show InChI InChI=1S/C17H24N4O/c1-9(2)13-6-11(7-14(10(3)4)15(13)22)5-12-8-20-17(19)21-16(12)18/h6-10,22H,5H2,1-4H3,(H4,18,19,20,21) | PDB
MMDB
Reactome pathway
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260679
(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=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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260677
(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=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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260656
(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=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 | PDB
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UniChem
| US Patent
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260674
(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=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 | PDB
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| US Patent
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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 | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260683
(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=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
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| US Patent
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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 | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM65394
(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=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 | PDB
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| US Patent
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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 | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260690
(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=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 | PDB
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| US Patent
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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 | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260675
(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=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 | PDB
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| US Patent
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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 | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260651
(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=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 | PDB
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PC sid
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| US Patent
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260655
(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=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 | PDB
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UniChem
| US Patent
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260685
(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=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 | PDB
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UniChem
| US Patent
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM65383
(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=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 | PDB
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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 | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260670
(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=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 | PDB
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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 | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50130880
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1 | Reactome pathway
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Citation and Details
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More data for this
Ligand-Target Pair | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260658
(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=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 | PDB
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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 | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260672
(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=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 | PDB
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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 | |
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260681
(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=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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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 alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
(Mus musculus (Mouse)-Homo sapiens (Human)) | BDBM260669
(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=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
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | 9.6 | 4 |
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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