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Compile Data Set for Download or QSAR

Found 205 hits of ic50 for UniProtKB: P02778   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249621
PNG
(US9447038, 49)
Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H34Cl2N2O6/c1-38-26-14-20(6-9-25(26)39-13-12-33-27(34)10-11-28(33)35)18-32(17-19-4-2-3-5-19)24(16-29(36)37)21-7-8-22(30)23(31)15-21/h6-9,14-15,19,24H,2-5,10-13,16-18H2,1H3,(H,36,37)
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n/an/a 61n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249762
PNG
(US9447038, 190)
Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1SCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H34ClFN2O5S/c1-38-25-14-20(6-9-26(25)39-13-12-33-27(34)10-11-28(33)35)18-32(17-19-4-2-3-5-19)24(16-29(36)37)21-7-8-22(30)23(31)15-21/h6-9,14-15,19,24H,2-5,10-13,16-18H2,1H3,(H,36,37)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249593
PNG
(US9447038, 21)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)[C@@H](CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C26H29ClF2N2O5/c1-16(2)14-30(22(13-26(34)35)18-4-5-19(27)20(28)12-18)15-17-3-6-23(21(29)11-17)36-10-9-31-24(32)7-8-25(31)33/h3-6,11-12,16,22H,7-10,13-15H2,1-2H3,(H,34,35)/t22-/m0/s1
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249664
PNG
(US9447038, 92)
Show SMILES CCc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H34ClFN2O5/c1-4-20-13-19(5-8-25(20)37-12-11-32-26(33)9-10-27(32)34)17-31(16-18(2)3)24(15-28(35)36)21-6-7-22(29)23(30)14-21/h5-8,13-14,18,24H,4,9-12,15-17H2,1-3H3,(H,35,36)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249617
PNG
(US9447038, 45)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H30Cl2N2O6/c1-36-24-12-18(4-7-23(24)37-11-10-31-25(32)8-9-26(31)33)16-30(15-17-2-3-17)22(14-27(34)35)19-5-6-20(28)21(29)13-19/h4-7,12-13,17,22H,2-3,8-11,14-16H2,1H3,(H,34,35)
PDB

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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249600
PNG
(US9447038, 28)
Show SMILES CCc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H37ClN2O5/c1-2-23-17-22(7-12-27(23)38-16-15-33-28(34)13-14-29(33)35)20-32(19-21-5-3-4-6-21)26(18-30(36)37)24-8-10-25(31)11-9-24/h7-12,17,21,26H,2-6,13-16,18-20H2,1H3,(H,36,37)/t26-/m0/s1
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249690
PNG
(US9447038, 118)
Show SMILES CCCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H34ClN3O6/c1-4-5-13-31(23(18-27(34)35)21-7-9-22(29)10-8-21)19-20-6-11-24(25(17-20)37-3)38-16-15-32-26(33)12-14-30(2)28(32)36/h6-12,14,17,23H,4-5,13,15-16,18-19H2,1-3H3,(H,34,35)
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n/an/a 69n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249604
PNG
(US9447038, 32)
Show SMILES CN1CC(=O)N(CCOc2ccc(CN(CC3CCCC3)[C@@H](CC(O)=O)c3ccc(Cl)c(F)c3)cc2C)C1=O
Show InChI InChI=1S/C29H35ClFN3O5/c1-19-13-21(7-10-26(19)39-12-11-34-27(35)18-32(2)29(34)38)17-33(16-20-5-3-4-6-20)25(15-28(36)37)22-8-9-23(30)24(31)14-22/h7-10,13-14,20,25H,3-6,11-12,15-18H2,1-2H3,(H,36,37)/t25-/m0/s1
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249584
PNG
(US9447038, 12)
Show SMILES COc1cc(CN(CC2CC2)[C@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H30ClFN2O6/c1-36-24-12-18(4-7-23(24)37-11-10-31-25(32)8-9-26(31)33)16-30(15-17-2-3-17)22(14-27(34)35)19-5-6-20(28)21(29)13-19/h4-7,12-13,17,22H,2-3,8-11,14-16H2,1H3,(H,34,35)/t22-/m1/s1
PDB

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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249660
PNG
(US9447038, 88)
Show SMILES CCc1cc(CN(CC2CCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H35ClN2O5/c1-2-22-16-21(6-11-26(22)37-15-14-32-27(33)12-13-28(32)34)19-31(18-20-4-3-5-20)25(17-29(35)36)23-7-9-24(30)10-8-23/h6-11,16,20,25H,2-5,12-15,17-19H2,1H3,(H,35,36)/t25-/m0/s1
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US Patent
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249614
PNG
(US9447038, 42)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H32ClFN2O6/c1-17(2)15-30(22(14-27(34)35)19-5-6-20(28)21(29)13-19)16-18-4-7-23(24(12-18)36-3)37-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,22H,8-11,14-16H2,1-3H3,(H,34,35)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249759
PNG
(US9447038, 187)
Show SMILES COc1cc(CN(CC2CC2)C(C(C)C(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H33ClN2O6/c1-18(28(34)35)27(21-6-8-22(29)9-7-21)30(16-19-3-4-19)17-20-5-10-23(24(15-20)36-2)37-14-13-31-25(32)11-12-26(31)33/h5-10,15,18-19,27H,3-4,11-14,16-17H2,1-2H3,(H,34,35)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249666
PNG
(US9447038, 94)
Show SMILES CCc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H36ClFN2O5/c1-2-22-15-21(7-10-27(22)39-14-13-34-28(35)11-12-29(34)36)19-33(18-20-5-3-4-6-20)26(17-30(37)38)23-8-9-24(31)25(32)16-23/h7-10,15-16,20,26H,2-6,11-14,17-19H2,1H3,(H,37,38)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249644
PNG
(US9447038, 72)
Show SMILES Cc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H35ClN2O5/c1-20-16-22(6-11-26(20)37-15-14-32-27(33)12-13-28(32)34)19-31(18-21-4-2-3-5-21)25(17-29(35)36)23-7-9-24(30)10-8-23/h6-11,16,21,25H,2-5,12-15,17-19H2,1H3,(H,35,36)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249611
PNG
(US9447038, 39)
Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H35ClN2O6/c1-37-26-16-21(6-11-25(26)38-15-14-32-27(33)12-13-28(32)34)19-31(18-20-4-2-3-5-20)24(17-29(35)36)22-7-9-23(30)10-8-22/h6-11,16,20,24H,2-5,12-15,17-19H2,1H3,(H,35,36)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249697
PNG
(US9447038, 125)
Show SMILES CCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H31Cl2N3O6/c1-4-10-31(22(16-26(34)35)19-6-7-20(28)21(29)15-19)17-18-5-8-23(24(14-18)37-3)38-13-12-32-25(33)9-11-30(2)27(32)36/h5-9,11,14-15,22H,4,10,12-13,16-17H2,1-3H3,(H,34,35)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249650
PNG
(US9447038, 78)
Show SMILES Cc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H36ClFN2O5/c1-20-15-22(7-10-27(20)39-14-13-34-28(35)11-12-29(34)36)19-33(18-21-5-3-2-4-6-21)26(17-30(37)38)23-8-9-24(31)25(32)16-23/h7-10,15-16,21,26H,2-6,11-14,17-19H2,1H3,(H,37,38)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249765
PNG
(US9447038, 193)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1SCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H32Cl2N2O5S/c1-17(2)15-30(22(14-27(34)35)19-5-6-20(28)21(29)13-19)16-18-4-7-24(23(12-18)36-3)37-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,22H,8-11,14-16H2,1-3H3,(H,34,35)
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249721
PNG
(US9447038, 149)
Show SMILES Cc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C32H40N2O6/c1-22-17-24(7-9-28(22)40-16-14-34-30(35)11-12-31(34)36)21-33(20-23-5-3-2-4-6-23)27(19-32(37)38)25-8-10-29-26(18-25)13-15-39-29/h7-10,17-18,23,27H,2-6,11-16,19-21H2,1H3,(H,37,38)
PDB

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UniChem
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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249758
PNG
(US9447038, 186)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(C(C)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN2O6/c1-4-13-29(26(18(2)27(33)34)20-6-8-21(28)9-7-20)17-19-5-10-22(23(16-19)35-3)36-15-14-30-24(31)11-12-25(30)32/h5-10,16,18,26H,4,11-15,17H2,1-3H3,(H,33,34)
PDB

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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249641
PNG
(US9447038, 69)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN2O5/c1-18(2)16-29(23(15-27(33)34)21-5-7-22(28)8-6-21)17-20-4-9-24(19(3)14-20)35-13-12-30-25(31)10-11-26(30)32/h4-9,14,18,23H,10-13,15-17H2,1-3H3,(H,33,34)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249730
PNG
(US9447038, 158)
Show SMILES CC(C)CN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C30H37N3O6/c1-20(2)18-32(25(17-29(35)36)23-6-8-27-24(16-23)10-13-38-27)19-22-5-7-26(21(3)15-22)39-14-12-33-28(34)9-11-31(4)30(33)37/h5-9,11,15-16,20,25H,10,12-14,17-19H2,1-4H3,(H,35,36)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249607
PNG
(US9447038, 35)
Show SMILES CN1CC(=O)N(CCOc2ccc(CN(CC3CCCCC3)[C@H](CC(O)=O)c3ccc(Cl)c(F)c3)cc2C)C1=O
Show InChI InChI=1S/C30H37ClFN3O5/c1-20-14-22(8-11-27(20)40-13-12-35-28(36)19-33(2)30(35)39)18-34(17-21-6-4-3-5-7-21)26(16-29(37)38)23-9-10-24(31)25(32)15-23/h8-11,14-15,21,26H,3-7,12-13,16-19H2,1-2H3,(H,37,38)/t26-/m1/s1
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249737
PNG
(US9447038, 165)
Show SMILES COc1cc(CN(Cc2ccc(F)cc2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H30ClFN2O6/c1-39-27-16-21(4-11-26(27)40-15-14-34-28(35)12-13-29(34)36)19-33(18-20-2-9-24(32)10-3-20)25(17-30(37)38)22-5-7-23(31)8-6-22/h2-11,16,25H,12-15,17-19H2,1H3,(H,37,38)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249733
PNG
(US9447038, 161)
Show SMILES CCCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C30H37N3O6/c1-4-5-12-32(25(19-29(35)36)23-7-9-27-24(18-23)11-15-38-27)20-22-6-8-26(21(2)17-22)39-16-14-33-28(34)10-13-31(3)30(33)37/h6-10,13,17-18,25H,4-5,11-12,14-16,19-20H2,1-3H3,(H,35,36)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249668
PNG
(US9447038, 96)
Show SMILES CCc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H32Cl2N2O5/c1-2-20-13-19(5-8-25(20)37-12-11-32-26(33)9-10-27(32)34)17-31(16-18-3-4-18)24(15-28(35)36)21-6-7-22(29)23(30)14-21/h5-8,13-14,18,24H,2-4,9-12,15-17H2,1H3,(H,35,36)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249738
PNG
(US9447038, 166)
Show SMILES Cc1cc(CN(Cc2ccc(F)cc2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H30ClFN2O5/c1-20-16-22(4-11-27(20)39-15-14-34-28(35)12-13-29(34)36)19-33(18-21-2-9-25(32)10-3-21)26(17-30(37)38)23-5-7-24(31)8-6-23/h2-11,16,26H,12-15,17-19H2,1H3,(H,37,38)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249665
PNG
(US9447038, 93)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(CC)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C28H34ClFN2O5/c1-3-5-12-31(24(17-28(35)36)21-7-8-22(29)23(30)16-21)18-19-6-9-25(20(4-2)15-19)37-14-13-32-26(33)10-11-27(32)34/h6-9,15-16,24H,3-5,10-14,17-18H2,1-2H3,(H,35,36)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249716
PNG
(US9447038, 144)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C29H36N2O6/c1-19(2)17-30(24(16-29(34)35)22-5-7-26-23(15-22)10-12-36-26)18-21-4-6-25(20(3)14-21)37-13-11-31-27(32)8-9-28(31)33/h4-7,14-15,19,24H,8-13,16-18H2,1-3H3,(H,34,35)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249732
PNG
(US9447038, 160)
Show SMILES Cc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C32H39N3O6/c1-22-17-24(7-9-28(22)41-16-14-35-30(36)11-13-33(2)32(35)39)21-34(20-23-5-3-4-6-23)27(19-31(37)38)25-8-10-29-26(18-25)12-15-40-29/h7-11,13,17-18,23,27H,3-6,12,14-16,19-21H2,1-2H3,(H,37,38)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249669
PNG
(US9447038, 97)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(CC)c1)C(CC(O)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H32Cl2N2O5/c1-3-11-30(23(16-27(34)35)20-6-7-21(28)22(29)15-20)17-18-5-8-24(19(4-2)14-18)36-13-12-31-25(32)9-10-26(31)33/h5-8,14-15,23H,3-4,9-13,16-17H2,1-2H3,(H,34,35)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249652
PNG
(US9447038, 80)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H32Cl2N2O5/c1-17(2)15-30(23(14-27(34)35)20-5-6-21(28)22(29)13-20)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249645
PNG
(US9447038, 73)
Show SMILES Cc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H37ClN2O5/c1-21-17-23(7-12-27(21)38-16-15-33-28(34)13-14-29(33)35)20-32(19-22-5-3-2-4-6-22)26(18-30(36)37)24-8-10-25(31)11-9-24/h7-12,17,22,26H,2-6,13-16,18-20H2,1H3,(H,36,37)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249674
PNG
(US9447038, 102)
Show SMILES OC(=O)CC(N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28Cl2N2O5/c27-20-6-4-19(5-7-20)22(14-26(33)34)29(15-17-1-2-17)16-18-3-8-23(21(28)13-18)35-12-11-30-24(31)9-10-25(30)32/h3-8,13,17,22H,1-2,9-12,14-16H2,(H,33,34)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249606
PNG
(US9447038, 34)
Show SMILES CN1CC(=O)N(CCOc2ccc(CN(CC3CCCCC3)[C@@H](CC(O)=O)c3ccc(Cl)c(F)c3)cc2C)C1=O
Show InChI InChI=1S/C30H37ClFN3O5/c1-20-14-22(8-11-27(20)40-13-12-35-28(36)19-33(2)30(35)39)18-34(17-21-6-4-3-5-7-21)26(16-29(37)38)23-9-10-24(31)25(32)15-23/h8-11,14-15,21,26H,3-7,12-13,16-19H2,1-2H3,(H,37,38)/t26-/m0/s1
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249605
PNG
(US9447038, 33)
Show SMILES CN1CC(=O)N(CCOc2ccc(CN(CC3CCCC3)[C@H](CC(O)=O)c3ccc(Cl)c(F)c3)cc2C)C1=O
Show InChI InChI=1S/C29H35ClFN3O5/c1-19-13-21(7-10-26(19)39-12-11-34-27(35)18-32(2)29(34)38)17-33(16-20-5-3-4-6-20)25(15-28(36)37)22-8-9-23(30)24(31)14-22/h7-10,13-14,20,25H,3-6,11-12,15-18H2,1-2H3,(H,36,37)/t25-/m1/s1
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249599
PNG
(US9447038, 27)
Show SMILES Cc1cc(CN(CC2CC2)[C@H](CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H30Cl2N2O5/c1-17-12-19(4-7-24(17)36-11-10-31-25(32)8-9-26(31)33)16-30(15-18-2-3-18)23(14-27(34)35)20-5-6-21(28)22(29)13-20/h4-7,12-13,18,23H,2-3,8-11,14-16H2,1H3,(H,34,35)/t23-/m1/s1
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249688
PNG
(US9447038, 116)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H32ClN3O6/c1-30-12-11-26(33)32(28(30)36)13-14-38-24-10-5-20(15-25(24)37-2)18-31(17-19-3-4-19)23(16-27(34)35)21-6-8-22(29)9-7-21/h5-12,15,19,23H,3-4,13-14,16-18H2,1-2H3,(H,34,35)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249751
PNG
(US9447038, 179)
Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(C)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H38N2O6/c1-21-7-10-24(11-8-21)25(18-30(35)36)31(19-22-5-3-4-6-22)20-23-9-12-26(27(17-23)37-2)38-16-15-32-28(33)13-14-29(32)34/h7-12,17,22,25H,3-6,13-16,18-20H2,1-2H3,(H,35,36)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249686
PNG
(US9447038, 114)
Show SMILES Cc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H32ClN3O5/c1-19-15-21(5-10-25(19)37-14-13-32-26(33)11-12-30(2)28(32)36)18-31(17-20-3-4-20)24(16-27(34)35)22-6-8-23(29)9-7-22/h5-12,15,20,24H,3-4,13-14,16-18H2,1-2H3,(H,34,35)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249576
PNG
(US9447038, 4)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H34ClN3O6/c1-19(2)17-31(23(16-27(34)35)21-6-8-22(29)9-7-21)18-20-5-10-24(25(15-20)37-4)38-14-13-32-26(33)11-12-30(3)28(32)36/h5-12,15,19,23H,13-14,16-18H2,1-4H3,(H,34,35)
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UniProtKB/SwissProt

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Sanofi

US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249579
PNG
(US9447038, 7)
Show SMILES Cc1cc(CN(C(CC(O)=O)c2ccc(Cl)cc2)C2CCC2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H32ClN3O5/c1-19-16-20(6-11-25(19)37-15-14-31-26(33)12-13-30(2)28(31)36)18-32(23-4-3-5-23)24(17-27(34)35)21-7-9-22(29)10-8-21/h6-13,16,23-24H,3-5,14-15,17-18H2,1-2H3,(H,34,35)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249692
PNG
(US9447038, 120)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C30H35N3O7/c1-31-11-9-28(34)33(30(31)37)12-14-40-26-7-5-21(15-27(26)38-2)19-32(18-20-3-4-20)24(17-29(35)36)22-6-8-25-23(16-22)10-13-39-25/h5-9,11,15-16,20,24H,3-4,10,12-14,17-19H2,1-2H3,(H,35,36)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249585
PNG
(US9447038, 13)
Show SMILES OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H27Cl2FN2O5/c27-19-5-4-18(12-20(19)28)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(21(29)11-17)36-10-9-31-24(32)7-8-25(31)33/h3-6,11-12,16,22H,1-2,7-10,13-15H2,(H,34,35)/t22-/m0/s1
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249622
PNG
(US9447038, 50)
Show SMILES COc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H36Cl2N2O6/c1-39-27-15-21(7-10-26(27)40-14-13-34-28(35)11-12-29(34)36)19-33(18-20-5-3-2-4-6-20)25(17-30(37)38)22-8-9-23(31)24(32)16-22/h7-10,15-16,20,25H,2-6,11-14,17-19H2,1H3,(H,37,38)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249653
PNG
(US9447038, 81)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H32Cl2N2O5/c1-3-4-11-30(23(16-27(34)35)20-6-7-21(28)22(29)15-20)17-19-5-8-24(18(2)14-19)36-13-12-31-25(32)9-10-26(31)33/h5-8,14-15,23H,3-4,9-13,16-17H2,1-2H3,(H,34,35)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249775
PNG
(US9447038, 203)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)s1
Show InChI InChI=1S/C24H29ClN2O5S/c1-3-10-26(18(14-24(30)31)20-6-7-21(25)33-20)15-17-4-5-19(16(2)13-17)32-12-11-27-22(28)8-9-23(27)29/h4-7,13,18H,3,8-12,14-15H2,1-2H3,(H,30,31)
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Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249613
PNG
(US9447038, 41)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C26H30ClFN2O6/c1-3-10-29(21(15-26(33)34)18-5-6-19(27)20(28)14-18)16-17-4-7-22(23(13-17)35-2)36-12-11-30-24(31)8-9-25(30)32/h4-7,13-14,21H,3,8-12,15-16H2,1-2H3,(H,33,34)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249578
PNG
(US9447038, 6)
Show SMILES COc1cc(CN(CC(C)C)[C@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H34ClN3O6/c1-19(2)17-31(23(16-27(34)35)21-6-8-22(29)9-7-21)18-20-5-10-24(25(15-20)37-4)38-14-13-32-26(33)11-12-30(3)28(32)36/h5-12,15,19,23H,13-14,16-18H2,1-4H3,(H,34,35)/t23-/m1/s1
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249631
PNG
(US9447038, 59)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C26H29ClF2N2O5/c1-2-3-10-30(22(15-26(34)35)18-5-6-19(27)20(28)14-18)16-17-4-7-23(21(29)13-17)36-12-11-31-24(32)8-9-25(31)33/h4-7,13-14,22H,2-3,8-12,15-16H2,1H3,(H,34,35)
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US Patent


Assay Description
The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


US Patent US9447038 (2016)


BindingDB Entry DOI: 10.7270/Q29G5KQK
More data for this
Ligand-Target Pair
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