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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 260659   
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
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260659
PNG
(US9533985, 47)
Show SMILES CN(C)c1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-n5cncn5)cc4F)C(O)=O)cc3)c(=O)c2c1 |r|
Show InChI InChI=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/an/a 0.320n/an/an/an/a9.64



EA Pharma Co., Ltd.

US Patent


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


US Patent US9533985 (2017)


BindingDB Entry DOI: 10.7270/Q20C4TQ8
More data for this
Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1


(Mus musculus (Mouse)-Homo sapiens (Human))
BDBM260659
PNG
(US9533985, 47)
Show SMILES CN(C)c1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-n5cncn5)cc4F)C(O)=O)cc3)c(=O)c2c1 |r|
Show InChI InChI=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/an/a 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
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1


(Homo sapiens (Human))
BDBM260659
PNG
(US9533985, 47)
Show SMILES CN(C)c1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-n5cncn5)cc4F)C(O)=O)cc3)c(=O)c2c1 |r|
Show InChI InChI=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

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/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 T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...


US Patent US9533985 (2017)


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