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Patent code US9447038

Compile Data Set for Download or QSAR

Found 205 hits of Enzyme Inhibition Constant Data   
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
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249581
PNG
(US9447038, 9)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN2O5/c1-3-12-28(22(16-26(32)33)20-5-7-21(27)8-6-20)17-19-4-9-23(18(2)15-19)34-14-13-29-24(30)10-11-25(29)31/h4-9,15,22H,3,10-14,16-17H2,1-2H3,(H,32,33)/t22-/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249658
PNG
(US9447038, 86)
Show SMILES CCc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H35ClN2O5/c1-4-21-15-20(5-10-25(21)36-14-13-31-26(32)11-12-27(31)33)18-30(17-19(2)3)24(16-28(34)35)22-6-8-23(29)9-7-22/h5-10,15,19,24H,4,11-14,16-18H2,1-3H3,(H,34,35)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249583
PNG
(US9447038, 11)
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-/m0/s1
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 19n/an/an/an/an/an/a



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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249608
PNG
(US9447038, 36)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H31ClN2O6/c1-35-24-14-19(4-9-23(24)36-13-12-30-25(31)10-11-26(30)32)17-29(16-18-2-3-18)22(15-27(33)34)20-5-7-21(28)8-6-20/h4-9,14,18,22H,2-3,10-13,15-17H2,1H3,(H,33,34)
PDB

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US Patent
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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249763
PNG
(US9447038, 191)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1SCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H30Cl2N2O5S/c1-36-23-12-18(4-7-24(23)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

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249609
PNG
(US9447038, 37 | US9447038, 38)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN2O6/c1-3-12-28(21(16-26(32)33)19-5-7-20(27)8-6-19)17-18-4-9-22(23(15-18)34-2)35-14-13-29-24(30)10-11-25(29)31/h4-9,15,21H,3,10-14,16-17H2,1-2H3,(H,32,33)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249577
PNG
(US9447038, 5)
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-/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a



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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249615
PNG
(US9447038, 43)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C27H32ClFN2O6/c1-3-4-11-30(22(16-27(34)35)19-6-7-20(28)21(29)15-19)17-18-5-8-23(24(14-18)36-2)37-13-12-31-25(32)9-10-26(31)33/h5-8,14-15,22H,3-4,9-13,16-17H2,1-2H3,(H,34,35)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249647
PNG
(US9447038, 75)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C26H30ClFN2O5/c1-3-10-29(22(15-26(33)34)19-5-6-20(27)21(28)14-19)16-18-4-7-23(17(2)13-18)35-12-11-30-24(31)8-9-25(30)32/h4-7,13-14,22H,3,8-12,15-16H2,1-2H3,(H,33,34)
PDB

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US Patent
n/an/a 25n/an/an/an/an/an/a



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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249720
PNG
(US9447038, 148)
Show SMILES COc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C32H40N2O7/c1-39-29-17-23(7-9-28(29)41-16-14-34-30(35)11-12-31(34)36)21-33(20-22-5-3-2-4-6-22)26(19-32(37)38)24-8-10-27-25(18-24)13-15-40-27/h7-10,17-18,22,26H,2-6,11-16,19-21H2,1H3,(H,37,38)
PDB

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PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249696
PNG
(US9447038, 124)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H31Cl2N3O6/c1-31-10-9-26(34)33(28(31)37)11-12-39-24-8-5-19(13-25(24)38-2)17-32(16-18-3-4-18)23(15-27(35)36)20-6-7-21(29)22(30)14-20/h5-10,13-14,18,23H,3-4,11-12,15-17H2,1-2H3,(H,35,36)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249601
PNG
(US9447038, 29)
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-/m1/s1
PDB

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US Patent
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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249659
PNG
(US9447038, 87)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(CC)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35ClN2O5/c1-3-5-14-30(24(18-28(34)35)22-7-9-23(29)10-8-22)19-20-6-11-25(21(4-2)17-20)36-16-15-31-26(32)12-13-27(31)33/h6-11,17,24H,3-5,12-16,18-19H2,1-2H3,(H,34,35)
PDB

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UniChem
US Patent
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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249760
PNG
(US9447038, 188)
Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1SCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H35ClN2O5S/c1-37-25-16-21(6-11-26(25)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)
PDB

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PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249596
PNG
(US9447038, 24)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C27H32ClFN2O5/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)/t23-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249574
PNG
(US9447038, 2)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H33ClN2O6/c1-18(2)16-29(22(15-27(33)34)20-5-7-21(28)8-6-20)17-19-4-9-23(24(14-19)35-3)36-13-12-30-25(31)10-11-26(30)32/h4-9,14,18,22H,10-13,15-17H2,1-3H3,(H,33,34)
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249646
PNG
(US9447038, 74)
Show SMILES Cc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H30ClFN2O5/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)
PDB

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UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249717
PNG
(US9447038, 145 | US9447038, 177)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C29H36N2O6/c1-3-4-12-30(24(18-29(34)35)22-6-8-26-23(17-22)11-14-36-26)19-21-5-7-25(20(2)16-21)37-15-13-31-27(32)9-10-28(31)33/h5-8,16-17,24H,3-4,9-15,18-19H2,1-2H3,(H,34,35)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249699
PNG
(US9447038, 127)
Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C32H39N3O7/c1-33-13-11-30(36)35(32(33)39)14-16-42-28-9-7-23(17-29(28)40-2)21-34(20-22-5-3-4-6-22)26(19-31(37)38)24-8-10-27-25(18-24)12-15-41-27/h7-11,13,17-18,22,26H,3-6,12,14-16,19-21H2,1-2H3,(H,37,38)
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249598
PNG
(US9447038, 26)
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-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249612
PNG
(US9447038, 40)
Show SMILES COc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H37ClN2O6/c1-38-27-17-22(7-12-26(27)39-16-15-33-28(34)13-14-29(33)35)20-32(19-21-5-3-2-4-6-21)25(18-30(36)37)23-8-10-24(31)11-9-23/h7-12,17,21,25H,2-6,13-16,18-20H2,1H3,(H,36,37)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249587
PNG
(US9447038, 15)
Show SMILES OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C26H27Cl2FN2O5/c27-19-5-4-18(12-21(19)29)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(20(28)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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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249761
PNG
(US9447038, 189)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1SCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H30ClFN2O5S/c1-36-23-12-18(4-7-24(23)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)
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249572
PNG
(US9447038, 1)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H36N2O7/c1-19(2)17-30(23(16-29(34)35)21-5-7-24-22(15-21)10-12-37-24)18-20-4-6-25(26(14-20)36-3)38-13-11-31-27(32)8-9-28(31)33/h4-7,14-15,19,23H,8-13,16-18H2,1-3H3,(H,34,35)
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249703
PNG
(US9447038, 131)
Show SMILES Cc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C30H35N3O6/c1-20-15-22(5-7-26(20)39-14-12-33-28(34)9-11-31(2)30(33)37)19-32(18-21-3-4-21)25(17-29(35)36)23-6-8-27-24(16-23)10-13-38-27/h5-9,11,15-16,21,25H,3-4,10,12-14,17-19H2,1-2H3,(H,35,36)
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249595
PNG
(US9447038, 23)
Show SMILES Cc1cc(CN(CC2CC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H31ClN2O5/c1-18-14-20(4-9-24(18)35-13-12-30-25(31)10-11-26(30)32)17-29(16-19-2-3-19)23(15-27(33)34)21-5-7-22(28)8-6-21/h4-9,14,19,23H,2-3,10-13,15-17H2,1H3,(H,33,34)/t23-/m0/s1
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249616
PNG
(US9447038, 44)
Show SMILES COc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H36ClFN2O6/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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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249713
PNG
(US9447038, 141)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc3OCCc3c2)ccc1CCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H38N2O6/c1-20(2)18-31(25(17-30(35)36)23-8-9-26-24(16-23)12-14-38-26)19-21-6-7-22(27(15-21)37-3)5-4-13-32-28(33)10-11-29(32)34/h6-9,15-16,20,25H,4-5,10-14,17-19H2,1-3H3,(H,35,36)
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249609
PNG
(US9447038, 37 | US9447038, 38)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN2O6/c1-3-12-28(21(16-26(32)33)19-5-7-20(27)8-6-19)17-18-4-9-22(23(15-18)34-2)35-14-13-29-24(30)10-11-25(29)31/h4-9,15,21H,3,10-14,16-17H2,1-2H3,(H,32,33)
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249656
PNG
(US9447038, 84)
Show SMILES CCc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H33ClN2O5/c1-2-21-15-20(5-10-25(21)36-14-13-31-26(32)11-12-27(31)33)18-30(17-19-3-4-19)24(16-28(34)35)22-6-8-23(29)9-7-22/h5-10,15,19,24H,2-4,11-14,16-18H2,1H3,(H,34,35)
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249719
PNG
(US9447038, 147)
Show SMILES Cc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C31H38N2O6/c1-21-16-23(6-8-27(21)39-15-13-33-29(34)10-11-30(33)35)20-32(19-22-4-2-3-5-22)26(18-31(36)37)24-7-9-28-25(17-24)12-14-38-28/h6-9,16-17,22,26H,2-5,10-15,18-20H2,1H3,(H,36,37)
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249662
PNG
(US9447038, 90)
Show SMILES CCc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H32ClFN2O5/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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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249661
PNG
(US9447038, 89)
Show SMILES CCc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C31H39ClN2O5/c1-2-24-18-23(8-13-28(24)39-17-16-34-29(35)14-15-30(34)36)21-33(20-22-6-4-3-5-7-22)27(19-31(37)38)25-9-11-26(32)12-10-25/h8-13,18,22,27H,2-7,14-17,19-21H2,1H3,(H,37,38)
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249712
PNG
(US9447038, 140)
Show SMILES CCCCN(Cc1ccc(CCCN2C(=O)CCC2=O)c(OC)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C30H38N2O6/c1-3-4-14-31(25(19-30(35)36)23-9-10-26-24(18-23)13-16-38-26)20-21-7-8-22(27(17-21)37-2)6-5-15-32-28(33)11-12-29(32)34/h7-10,17-18,25H,3-6,11-16,19-20H2,1-2H3,(H,35,36)
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249628
PNG
(US9447038, 56)
Show SMILES OC(=O)CC(N(CC1CCCC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32ClFN2O5/c29-22-8-6-21(7-9-22)24(16-28(35)36)31(17-19-3-1-2-4-19)18-20-5-10-25(23(30)15-20)37-14-13-32-26(33)11-12-27(32)34/h5-10,15,19,24H,1-4,11-14,16-18H2,(H,35,36)
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249648
PNG
(US9447038, 76)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C27H32ClFN2O5/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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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249589
PNG
(US9447038, 17)
Show SMILES COc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H34ClFN2O6/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)/t24-/m0/s1
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249711
PNG
(US9447038, 139)
Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1CCCN1C(=O)CCC1=O
Show InChI InChI=1S/C32H40N2O6/c1-39-29-17-23(8-9-24(29)7-4-15-34-30(35)12-13-31(34)36)21-33(20-22-5-2-3-6-22)27(19-32(37)38)25-10-11-28-26(18-25)14-16-40-28/h8-11,17-18,22,27H,2-7,12-16,19-21H2,1H3,(H,37,38)
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249643
PNG
(US9447038, 71)
Show SMILES Cc1cc(CN(CC2CCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H33ClN2O5/c1-19-15-21(5-10-25(19)36-14-13-31-26(32)11-12-27(31)33)18-30(17-20-3-2-4-20)24(16-28(34)35)22-6-8-23(29)9-7-22/h5-10,15,20,24H,2-4,11-14,16-18H2,1H3,(H,34,35)/t24-/m0/s1
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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249602
PNG
(US9447038, 30)
Show SMILES CN1CC(=O)N(CCOc2ccc(CN(CC3CCCCC3)[C@@H](CC(O)=O)c3ccc(Cl)cc3)cc2C)C1=O
Show InChI InChI=1S/C30H38ClN3O5/c1-21-16-23(8-13-27(21)39-15-14-34-28(35)20-32(2)30(34)38)19-33(18-22-6-4-3-5-7-22)26(17-29(36)37)24-9-11-25(31)12-10-24/h8-13,16,22,26H,3-7,14-15,17-20H2,1-2H3,(H,36,37)/t26-/m0/s1
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249764
PNG
(US9447038, 192)
Show SMILES CCCN(Cc1ccc(SCCN2C(=O)CCC2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H30Cl2N2O5S/c1-3-10-29(21(15-26(33)34)18-5-6-19(27)20(28)14-18)16-17-4-7-23(22(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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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249718
PNG
(US9447038, 146)
Show SMILES COc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C31H38N2O7/c1-38-28-16-22(6-8-27(28)40-15-13-33-29(34)10-11-30(33)35)20-32(19-21-4-2-3-5-21)25(18-31(36)37)23-7-9-26-24(17-23)12-14-39-26/h6-9,16-17,21,25H,2-5,10-15,18-20H2,1H3,(H,36,37)
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249663
PNG
(US9447038, 91)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(CC)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C27H32ClFN2O5/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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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


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More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249591
PNG
(US9447038, 19)
Show SMILES OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C26H27ClF2N2O5/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
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249726
PNG
(US9447038, 154)
Show SMILES CCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C28H33N3O6/c1-4-30(23(17-27(33)34)21-6-8-25-22(16-21)10-13-36-25)18-20-5-7-24(19(2)15-20)37-14-12-31-26(32)9-11-29(3)28(31)35/h5-9,11,15-16,23H,4,10,12-14,17-18H2,1-3H3,(H,33,34)
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249657
PNG
(US9447038, 85)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(CC)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN2O5/c1-3-13-29(23(17-27(33)34)21-6-8-22(28)9-7-21)18-19-5-10-24(20(4-2)16-19)35-15-14-30-25(31)11-12-26(30)32/h5-10,16,23H,3-4,11-15,17-18H2,1-2H3,(H,33,34)
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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249597
PNG
(US9447038, 25)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@H](CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C27H32ClFN2O5/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)/t23-/m1/s1
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


Citation and Details
More data for this
Ligand-Target Pair
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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US Patent
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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...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249649
PNG
(US9447038, 77)
Show SMILES Cc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H34ClFN2O5/c1-19-14-21(6-9-26(19)38-13-12-33-27(34)10-11-28(33)35)18-32(17-20-4-2-3-5-20)25(16-29(36)37)22-7-8-23(30)24(31)15-22/h6-9,14-15,20,25H,2-5,10-13,16-18H2,1H3,(H,36,37)
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The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C motif chemokine 10 (CXCL10)


(Homo sapiens (Human))
BDBM249642
PNG
(US9447038, 70)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN2O5/c1-3-4-13-29(23(17-27(33)34)21-6-8-22(28)9-7-21)18-20-5-10-24(19(2)16-20)35-15-14-30-25(31)11-12-26(30)32/h5-10,16,23H,3-4,11-15,17-18H2,1-2H3,(H,33,34)
PDB

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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...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%