Found 1842 hits with Last Name = 'eda' and Initial = 'h' 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 |
|---|
Cysteine protease ATG4B
(Homo sapiens (Human)) | BDBM50604041
(CHEMBL5200146) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02113
BindingDB Entry DOI: 10.7270/Q2M049JM |
More data for this
Ligand-Target Pair | |
Cysteine protease ATG4B
(Homo sapiens (Human)) | BDBM50604040
(CHEMBL1358284)Show SMILES CCCCCCCCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02113
BindingDB Entry DOI: 10.7270/Q2M049JM |
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 | 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 | |
Renin
(Homo sapiens (Human)) | BDBM18012
(trans,trans-4-arylpiperidine-based compound, 1)Show SMILES COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r| Show InChI InChI=1S/C38H47NO8/c1-41-25-31(40)26-47-37-22-39-21-36(46-23-27-19-29-9-4-6-11-33(29)35(20-27)43-3)38(37)28-13-15-32(16-14-28)45-18-8-17-44-24-30-10-5-7-12-34(30)42-2/h4-7,9-16,19-20,31,36-40H,8,17-18,21-26H2,1-3H3/t31-,36+,37-,38-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280
BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM18012
(trans,trans-4-arylpiperidine-based compound, 1)Show SMILES COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r| Show InChI InChI=1S/C38H47NO8/c1-41-25-31(40)26-47-37-22-39-21-36(46-23-27-19-29-9-4-6-11-33(29)35(20-27)43-3)38(37)28-13-15-32(16-14-28)45-18-8-17-44-24-30-10-5-7-12-34(30)42-2/h4-7,9-16,19-20,31,36-40H,8,17-18,21-26H2,1-3H3/t31-,36+,37-,38-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 | |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| 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 | |
Lysophosphatidic acid receptor 1
(Homo sapiens (Human)) | BDBM50285779
(CHEMBL4165205)Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
ONO Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed... |
ACS Med Chem Lett 8: 1281-1286 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00383
BindingDB Entry DOI: 10.7270/Q2PG1V8Z |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| 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 | |
Lysophosphatidic acid receptor 1
(Homo sapiens (Human)) | BDBM50285779
(CHEMBL4165205)Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
ONO Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed... |
ACS Med Chem Lett 8: 1281-1286 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00383
BindingDB Entry DOI: 10.7270/Q2PG1V8Z |
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 | 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
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)) | 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
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)) | 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)) | 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
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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)) | 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
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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)) | 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
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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)) | 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
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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 | |
Renin
(Homo sapiens (Human)) | BDBM212579
(US10155731, Example 270 | US9278944, 270)Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598963
(CHEMBL5174310)Show SMILES COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
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
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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)) | 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
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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 | |
Renin
(Homo sapiens (Human)) | BDBM212579
(US10155731, Example 270 | US9278944, 270)Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
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
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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 | |
Extracellular calcium-sensing receptor
(Rattus norvegicus) | BDBM50272596
(CHEMBL4126450)Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1 | PDB
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| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA |
Bioorg Med Chem Lett 28: 2055-2060 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0 |
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
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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)) | 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
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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 | |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280
BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280
BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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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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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 | |
Activin receptor type-1
(Mus musculus) | BDBM50262079
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2 | PDB
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Massachusetts Institute of Technology
| |
ACS Chem Biol 8: 1291-302 (2013)
Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2ZW1JKW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280
BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50598963
(CHEMBL5174310)Show SMILES COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
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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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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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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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 | |
Renin
(Homo sapiens (Human)) | BDBM50598961
(CHEMBL5200104)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
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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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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| 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)) | 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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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 | |
Renin
(Homo sapiens (Human)) | BDBM50598954
(CHEMBL5187830)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50598954
(CHEMBL5187830)Show SMILES COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00280
BindingDB Entry DOI: 10.7270/Q28K7F4S |
More data for this
Ligand-Target Pair | |
Extracellular calcium-sensing receptor
(Rattus norvegicus) | BDBM50272602
(CHEMBL4126877)Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCO)c1cccc2ccccc12 |r| Show InChI InChI=1S/C25H29N3O2.2ClH/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-21-13-15-28(17-21)22-11-9-20(10-12-22)25(30)26-14-16-29;;/h2-12,18,21,27,29H,13-17H2,1H3,(H,26,30);2*1H/t18-,21+;;/m1../s1 | PDB
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Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA |
Bioorg Med Chem Lett 28: 2055-2060 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0 |
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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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 | |
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