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Compile Data Set for Download or QSAR

Found 301 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 9'   
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-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50398334
PNG
(CHEMBL2178578)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393502
PNG
(US9969687, Compound 119)
Show SMILES COc1ccncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)14-5-7-15(8-6-14)34(31,32)27-17-10-9-16(25)20-21(17)23(30)28(22(20)29)18-13-26-12-11-19(18)33-4/h5-13,27H,1-4H3
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2n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393520
PNG
(US9969687, Compound 183)
Show SMILES COc1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)14-7-9-15(10-8-14)34(31,32)27-17-12-11-16(25)19-20(17)23(30)28(22(19)29)18-6-5-13-26-21(18)33-4/h5-13,27H,1-4H3
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3n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393561
PNG
(US9969687, Compound 232)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccsc1C#N
Show InChI InChI=1S/C23H18ClN3O4S2/c1-23(2,3)13-4-6-14(7-5-13)33(30,31)26-16-9-8-15(24)19-20(16)22(29)27(21(19)28)17-10-11-32-18(17)12-25/h4-11,26H,1-3H3
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3n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393572
PNG
(US9969687, Compound 244)
Show SMILES Cc1cnccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-13-26-12-11-19(14)28-22(29)20-17(25)9-10-18(21(20)23(28)30)27-33(31,32)16-7-5-15(6-8-16)24(2,3)4/h5-13,27H,1-4H3
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3n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393516
PNG
(US9969687, Compound 175)
Show SMILES Cc1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-19(6-5-13-26-14)28-22(29)20-17(25)11-12-18(21(20)23(28)30)27-33(31,32)16-9-7-15(8-10-16)24(2,3)4/h5-13,27H,1-4H3
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3n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393520
PNG
(US9969687, Compound 183)
Show SMILES COc1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)14-7-9-15(10-8-14)34(31,32)27-17-12-11-16(25)19-20(17)23(30)28(22(19)29)18-6-5-13-26-21(18)33-4/h5-13,27H,1-4H3
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3n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393520
PNG
(US9969687, Compound 183)
Show SMILES COc1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)14-7-9-15(10-8-14)34(31,32)27-17-12-11-16(25)19-20(17)23(30)28(22(19)29)18-6-5-13-26-21(18)33-4/h5-13,27H,1-4H3
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3n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393502
PNG
(US9969687, Compound 119)
Show SMILES COc1ccncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)14-5-7-15(8-6-14)34(31,32)27-17-10-9-16(25)20-21(17)23(30)28(22(20)29)18-13-26-12-11-19(18)33-4/h5-13,27H,1-4H3
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3n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCl25-mediated cell migration preincubated for 30 mins followed C...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50398334
PNG
(CHEMBL2178578)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3
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3.70n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393530
PNG
(US9969687, Compound 194)
Show SMILES COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3
PDB

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4n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393600
PNG
(US9969687, Compound 281)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccc[nH]c1=O
Show InChI InChI=1S/C23H20ClN3O5S/c1-23(2,3)13-6-8-14(9-7-13)33(31,32)26-16-11-10-15(24)18-19(16)22(30)27(21(18)29)17-5-4-12-25-20(17)28/h4-12,26H,1-3H3,(H,25,28)
PDB

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4n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393557
PNG
(US9969687, Compound 228)
Show SMILES Cc1cccc(n1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-6-5-7-19(26-14)28-22(29)20-17(25)12-13-18(21(20)23(28)30)27-33(31,32)16-10-8-15(9-11-16)24(2,3)4/h5-13,27H,1-4H3
PDB

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5n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393553
PNG
(US9969687, Compound 224)
Show SMILES Cc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(C)n1
Show InChI InChI=1S/C25H24ClN3O4S/c1-14-6-13-20(15(2)27-14)29-23(30)21-18(26)11-12-19(22(21)24(29)31)28-34(32,33)17-9-7-16(8-10-17)25(3,4)5/h6-13,28H,1-5H3
PDB

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5n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393530
PNG
(US9969687, Compound 194)
Show SMILES COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3
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6n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393553
PNG
(US9969687, Compound 224)
Show SMILES Cc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(C)n1
Show InChI InChI=1S/C25H24ClN3O4S/c1-14-6-13-20(15(2)27-14)29-23(30)21-18(26)11-12-19(22(21)24(29)31)28-34(32,33)17-9-7-16(8-10-17)25(3,4)5/h6-13,28H,1-5H3
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6n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393557
PNG
(US9969687, Compound 228)
Show SMILES Cc1cccc(n1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-6-5-7-19(26-14)28-22(29)20-17(25)12-13-18(21(20)23(28)30)27-33(31,32)16-10-8-15(9-11-16)24(2,3)4/h5-13,27H,1-4H3
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6n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393559
PNG
(US9969687, Compound 230)
Show SMILES COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(OC)n1
Show InChI InChI=1S/C25H24ClN3O6S/c1-25(2,3)14-6-8-15(9-7-14)36(32,33)28-17-11-10-16(26)20-21(17)24(31)29(23(20)30)18-12-13-19(34-4)27-22(18)35-5/h6-13,28H,1-5H3
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6n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393517
PNG
(US9969687, Compound 176)
Show SMILES Cc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3
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6n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393552
PNG
(US9969687, Compound 222)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccccn1
Show InChI InChI=1S/C23H20ClN3O4S/c1-23(2,3)14-7-9-15(10-8-14)32(30,31)26-17-12-11-16(24)19-20(17)22(29)27(21(19)28)18-6-4-5-13-25-18/h4-13,26H,1-3H3
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6n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393553
PNG
(US9969687, Compound 224)
Show SMILES Cc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(C)n1
Show InChI InChI=1S/C25H24ClN3O4S/c1-14-6-13-20(15(2)27-14)29-23(30)21-18(26)11-12-19(22(21)24(29)31)28-34(32,33)17-9-7-16(8-10-17)25(3,4)5/h6-13,28H,1-5H3
PDB

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6n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393557
PNG
(US9969687, Compound 228)
Show SMILES Cc1cccc(n1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-6-5-7-19(26-14)28-22(29)20-17(25)12-13-18(21(20)23(28)30)27-33(31,32)16-10-8-15(9-11-16)24(2,3)4/h5-13,27H,1-4H3
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6n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393534
PNG
(US9969687, Compound 199)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cccc[n+]3[O-])C(=O)c12
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)15-7-9-17(10-8-15)34(32,33)26-19-12-11-18(25)20-21(19)23(30)27(22(20)29)14-16-6-4-5-13-28(16)31/h4-13,26H,14H2,1-3H3
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6n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393530
PNG
(US9969687, Compound 194)
Show SMILES COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3
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6n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393572
PNG
(US9969687, Compound 244)
Show SMILES Cc1cnccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-13-26-12-11-19(14)28-22(29)20-17(25)9-10-18(21(20)23(28)30)27-33(31,32)16-7-5-15(6-8-16)24(2,3)4/h5-13,27H,1-4H3
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6n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393569
PNG
(US9969687, Compound 241)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3c(F)ccc[n+]3[O-])C(=O)c12
Show InChI InChI=1S/C24H21ClFN3O5S/c1-24(2,3)14-6-8-15(9-7-14)35(33,34)27-18-11-10-16(25)20-21(18)23(31)28(22(20)30)13-19-17(26)5-4-12-29(19)32/h4-12,27H,13H2,1-3H3
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7n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393522
PNG
(US9969687, Compound 185)
Show SMILES Cc1ccncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-11-12-26-13-19(14)28-22(29)20-17(25)9-10-18(21(20)23(28)30)27-33(31,32)16-7-5-15(6-8-16)24(2,3)4/h5-13,27H,1-4H3
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7n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393549
PNG
(US9969687, Compound 218)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1F
Show InChI InChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-6-8-14(9-7-13)33(31,32)27-16-11-10-15(24)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)25/h4-12,27H,1-3H3
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7n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393536
PNG
(US9969687, Compound 201)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3ccncc3)C(=O)c12
Show InChI InChI=1S/C24H22ClN3O4S/c1-24(2,3)16-4-6-17(7-5-16)33(31,32)27-19-9-8-18(25)20-21(19)23(30)28(22(20)29)14-15-10-12-26-13-11-15/h4-13,27H,14H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393559
PNG
(US9969687, Compound 230)
Show SMILES COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(OC)n1
Show InChI InChI=1S/C25H24ClN3O6S/c1-25(2,3)14-6-8-15(9-7-14)36(32,33)28-17-11-10-16(26)20-21(17)24(31)29(23(20)30)18-12-13-19(34-4)27-22(18)35-5/h6-13,28H,1-5H3
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8n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393566
PNG
(US9969687, Compound 237)
Show SMILES COc1nccc(C)c1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C25H24ClN3O5S/c1-14-12-13-27-22(34-5)21(14)29-23(30)19-17(26)10-11-18(20(19)24(29)31)28-35(32,33)16-8-6-15(7-9-16)25(2,3)4/h6-13,28H,1-5H3
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9n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393592
PNG
(US9969687, Compound 271)
Show SMILES CCOc1ccncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C25H24ClN3O5S/c1-5-34-20-12-13-27-14-19(20)29-23(30)21-17(26)10-11-18(22(21)24(29)31)28-35(32,33)16-8-6-15(7-9-16)25(2,3)4/h6-14,28H,5H2,1-4H3
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9n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393552
PNG
(US9969687, Compound 222)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccccn1
Show InChI InChI=1S/C23H20ClN3O4S/c1-23(2,3)14-7-9-15(10-8-14)32(30,31)26-17-12-11-16(24)19-20(17)22(29)27(21(19)28)18-6-4-5-13-25-18/h4-13,26H,1-3H3
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9n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCl25-mediated cell migration preincubated for 30 mins followed C...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393534
PNG
(US9969687, Compound 199)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cccc[n+]3[O-])C(=O)c12
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)15-7-9-17(10-8-15)34(32,33)26-19-12-11-18(25)20-21(19)23(30)27(22(20)29)14-16-6-4-5-13-28(16)31/h4-13,26H,14H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393606
PNG
(US9969687, Compound 287)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1C(O)=O
Show InChI InChI=1S/C24H20ClN3O6S/c1-24(2,3)13-6-8-14(9-7-13)35(33,34)27-16-11-10-15(25)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)23(31)32/h4-12,27H,1-3H3,(H,31,32)
PDB

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10n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393550
PNG
(US9969687, Compound 219)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccc(F)cn1
Show InChI InChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-4-7-15(8-5-13)33(31,32)27-17-10-9-16(24)19-20(17)22(30)28(21(19)29)18-11-6-14(25)12-26-18/h4-12,27H,1-3H3
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10n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393534
PNG
(US9969687, Compound 199)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cccc[n+]3[O-])C(=O)c12
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)15-7-9-17(10-8-15)34(32,33)26-19-12-11-18(25)20-21(19)23(30)27(22(20)29)14-16-6-4-5-13-28(16)31/h4-13,26H,14H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50398334
PNG
(CHEMBL2178578)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3
PDB

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CHEMBL
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10n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCl25-mediated cell migration preincubated for 30 mins followed C...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393585
PNG
(US9969687, Compound 261)
Show SMILES COc1ncc(C)cc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C25H24ClN3O5S/c1-14-12-19(22(34-5)27-13-14)29-23(30)20-17(26)10-11-18(21(20)24(29)31)28-35(32,33)16-8-6-15(7-9-16)25(2,3)4/h6-13,28H,1-5H3
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11n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393588
PNG
(US9969687, Compound 264)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccncc1
Show InChI InChI=1S/C23H20ClN3O4S/c1-23(2,3)14-4-6-16(7-5-14)32(30,31)26-18-9-8-17(24)19-20(18)22(29)27(21(19)28)15-10-12-25-13-11-15/h4-13,26H,1-3H3
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11n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393587
PNG
(US9969687, Compound 263)
Show SMILES Cc1cnc(C)c(c1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C25H24ClN3O4S/c1-14-12-20(15(2)27-13-14)29-23(30)21-18(26)10-11-19(22(21)24(29)31)28-34(32,33)17-8-6-16(7-9-17)25(3,4)5/h6-13,28H,1-5H3
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11n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393516
PNG
(US9969687, Compound 175)
Show SMILES Cc1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-19(6-5-13-26-14)28-22(29)20-17(25)11-12-18(21(20)23(28)30)27-33(31,32)16-9-7-15(8-10-16)24(2,3)4/h5-13,27H,1-4H3
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12n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393528
PNG
(US9969687, Compound 192)
Show SMILES Cn1cncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C22H21ClN4O4S/c1-22(2,3)13-5-7-14(8-6-13)32(30,31)25-16-10-9-15(23)18-19(16)21(29)27(20(18)28)17-11-24-12-26(17)4/h5-12,25H,1-4H3
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12n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393552
PNG
(US9969687, Compound 222)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccccn1
Show InChI InChI=1S/C23H20ClN3O4S/c1-23(2,3)14-7-9-15(10-8-14)32(30,31)26-17-12-11-16(24)19-20(17)22(29)27(21(19)28)18-6-4-5-13-25-18/h4-13,26H,1-3H3
PDB

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12n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393545
PNG
(US9969687, Compound 213)
Show SMILES Cc1cc[n+]([O-])cc1CN1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C25H24ClN3O5S/c1-15-11-12-28(32)13-16(15)14-29-23(30)21-19(26)9-10-20(22(21)24(29)31)27-35(33,34)18-7-5-17(6-8-18)25(2,3)4/h5-13,27H,14H2,1-4H3
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12n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393552
PNG
(US9969687, Compound 222)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccccn1
Show InChI InChI=1S/C23H20ClN3O4S/c1-23(2,3)14-7-9-15(10-8-14)32(30,31)26-17-12-11-16(24)19-20(17)22(29)27(21(19)28)18-6-4-5-13-25-18/h4-13,26H,1-3H3
PDB

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12n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393516
PNG
(US9969687, Compound 175)
Show SMILES Cc1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O4S/c1-14-19(6-5-13-26-14)28-22(29)20-17(25)11-12-18(21(20)23(28)30)27-33(31,32)16-9-7-15(8-10-16)24(2,3)4/h5-13,27H,1-4H3
PDB

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12n/an/an/an/an/an/an/an/a



Norgine Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...


J Med Chem 59: 3098-111 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393603
PNG
(US9969687, Compound 284)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3ccc[nH]c3=O)C(=O)c12
Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)15-6-8-16(9-7-15)34(32,33)27-18-11-10-17(25)19-20(18)23(31)28(22(19)30)13-14-5-4-12-26-21(14)29/h4-12,27H,13H2,1-3H3,(H,26,29)
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12n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393517
PNG
(US9969687, Compound 176)
Show SMILES Cc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3
PDB

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13n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM393567
PNG
(US9969687, Compound 238)
Show SMILES COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(C)n1
Show InChI InChI=1S/C25H24ClN3O5S/c1-14-19(12-13-20(27-14)34-5)29-23(30)21-17(26)10-11-18(22(21)24(29)31)28-35(32,33)16-8-6-15(7-9-16)25(2,3)4/h6-13,28H,1-5H3
PDB

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13n/an/an/an/an/an/an/an/a



Norgine B.V.

US Patent


Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...


US Patent US9969687 (2018)

More data for this
Ligand-Target Pair
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