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Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 9' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50113443
PNG
(CHEMBL3604484)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccn1
Show InChI InChI=1S/C20H20ClN3O2S/c1-20(2,3)14-5-8-16(9-6-14)27(25,26)24-18-10-7-15(21)13-17(18)19-22-11-4-12-23-19/h4-13,24H,1-3H3
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n/an/a 0.300n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178705
PNG
(CHEMBL3814804)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3cnc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)14-6-4-12(5-7-14)11-22-15-9-17(20)21-10-13(15)8-16(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
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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n/an/a 2.80n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 assessed as inhibition of CCL25-induced chemotaxis by cell based assay


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


(Homo sapiens)
BDBM50113442
PNG
(CHEMBL3604485)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncncc1N
Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)10-16(18)19-17(22)11-23-12-24-19/h4-12,25H,22H2,1-3H3
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n/an/a 3.20n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113441
PNG
(CHEMBL3604486)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1N
Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-17-9-6-14(21)12-16(17)18-19(22)24-11-10-23-18/h4-12,25H,1-3H3,(H2,22,24)
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n/an/a 3.20n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113352
PNG
(CHEMBL3604487)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nnccc1N
Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)12-16(18)19-17(22)10-11-23-24-19/h4-12,25H,1-3H3,(H2,22,23)
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n/an/a 3.80n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113354
PNG
(CHEMBL3604489)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(N)ncc1O
Show InChI InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)18-17(26)11-23-19(22)24-18/h4-11,25-26H,1-3H3,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
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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n/an/a 5n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
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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n/an/a 6n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CCR9


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


(Homo sapiens)
BDBM50113427
PNG
(CHEMBL3604496)
Show SMILES CCc1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H24ClN3O3S/c1-5-18-21(27)20(25-13-24-18)17-12-15(23)8-11-19(17)26-30(28,29)16-9-6-14(7-10-16)22(2,3)4/h6-13,26-27H,5H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178714
PNG
(CHEMBL3814136)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(cc23)C#N)C(O)=O)cc1
Show InChI InChI=1S/C21H20N2O2/c1-21(2,3)17-8-5-14(6-9-17)13-23-18-10-15(12-22)4-7-16(18)11-19(23)20(24)25/h4-11H,13H2,1-3H3,(H,24,25)
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n/an/a 8n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113440
PNG
(CHEMBL3604483)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccc(CO)c1O
Show InChI InChI=1S/C22H23ClN2O4S/c1-22(2,3)15-4-7-17(8-5-15)30(28,29)25-19-9-6-16(23)12-18(19)20-21(27)14(13-26)10-11-24-20/h4-12,25-27H,13H2,1-3H3
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n/an/a 8.70n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113358
PNG
(CHEMBL3604493)
Show SMILES CN(C)c1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)14-6-9-16(10-7-14)31(29,30)26-18-11-8-15(23)12-17(18)19-20(28)21(27(4)5)25-13-24-19/h6-13,26,28H,1-5H3
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n/an/a 9n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
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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n/an/a 10n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113360
PNG
(CHEMBL3604495)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(CO)c1O
Show InChI InChI=1S/C21H22ClN3O4S/c1-21(2,3)13-4-7-15(8-5-13)30(28,29)25-17-9-6-14(22)10-16(17)19-20(27)18(11-26)23-12-24-19/h4-10,12,25-27H,11H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
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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n/an/a 11n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113353
PNG
(CHEMBL3604488)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncncc1O
Show InChI InChI=1S/C20H20ClN3O3S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)24-17-9-6-14(21)10-16(17)19-18(25)11-22-12-23-19/h4-12,24-25H,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113357
PNG
(CHEMBL3604492)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(N)c1O
Show InChI InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)17-18(26)19(22)24-11-23-17/h4-11,25-26H,1-3H3,(H2,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178704
PNG
(CHEMBL3814736)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)13-6-4-12(5-7-13)11-22-16-8-14(20)10-21-15(16)9-17(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113441
PNG
(CHEMBL3604486)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1N
Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-17-9-6-14(21)12-16(17)18-19(22)24-11-10-23-18/h4-12,25H,1-3H3,(H2,22,24)
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n/an/a 23n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113352
PNG
(CHEMBL3604487)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nnccc1N
Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)12-16(18)19-17(22)10-11-23-24-19/h4-12,25H,1-3H3,(H2,22,23)
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n/an/a 23n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113428
PNG
(CHEMBL3604497)
Show SMILES CNc1nccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN4O2S/c1-21(2,3)14-5-8-16(9-6-14)29(27,28)26-18-10-7-15(22)13-17(18)19-20(23-4)25-12-11-24-19/h5-13,26H,1-4H3,(H,23,25)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113359
PNG
(CHEMBL3604494)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nncc(N2CCOCC2)c1N
Show InChI InChI=1S/C24H28ClN5O3S/c1-24(2,3)16-4-7-18(8-5-16)34(31,32)29-20-9-6-17(25)14-19(20)23-22(26)21(15-27-28-23)30-10-12-33-13-11-30/h4-9,14-15,29H,10-13H2,1-3H3,(H2,26,27)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113355
PNG
(CHEMBL3604490)
Show SMILES CNc1ncc(O)c(n1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN4O3S/c1-21(2,3)13-5-8-15(9-6-13)30(28,29)26-17-10-7-14(22)11-16(17)19-18(27)12-24-20(23-4)25-19/h5-12,26-27H,1-4H3,(H,23,24,25)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113438
PNG
(CHEMBL3604476)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1O
Show InChI InChI=1S/C21H21ClN2O3S/c1-21(2,3)14-6-9-16(10-7-14)28(26,27)24-18-11-8-15(22)13-17(18)20-19(25)5-4-12-23-20/h4-13,24-25H,1-3H3
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178716
PNG
(CHEMBL3814511)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(Cl)cc23)C(O)=O)cn1
Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)17-7-4-12(10-21-17)11-22-15-9-14(20)6-5-13(15)8-16(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113354
PNG
(CHEMBL3604489)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(N)ncc1O
Show InChI InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)18-17(26)11-23-19(22)24-18/h4-11,25-26H,1-3H3,(H2,22,23,24)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113430
PNG
(CHEMBL3604499)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCCO
Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)15-4-7-17(8-5-15)31(29,30)27-19-9-6-16(23)14-18(19)20-21(26-12-13-28)25-11-10-24-20/h4-11,14,27-28H,12-13H2,1-3H3,(H,25,26)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113430
PNG
(CHEMBL3604499)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCCO
Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)15-4-7-17(8-5-15)31(29,30)27-19-9-6-16(23)14-18(19)20-21(26-12-13-28)25-11-10-24-20/h4-11,14,27-28H,12-13H2,1-3H3,(H,25,26)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178707
PNG
(CHEMBL3814811)
Show SMILES COCC(C)(C)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C20H21ClN2O3/c1-20(2,12-26-3)14-6-4-13(5-7-14)11-23-17-8-15(21)10-22-16(17)9-18(23)19(24)25/h4-10H,11-12H2,1-3H3,(H,24,25)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50178712
PNG
(CHEMBL3813888)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(Br)cc23)C(O)=O)cc1
Show InChI InChI=1S/C20H20BrNO2/c1-20(2,3)15-7-4-13(5-8-15)12-22-17-11-16(21)9-6-14(17)10-18(22)19(23)24/h4-11H,12H2,1-3H3,(H,23,24)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113444
PNG
(CHEMBL3604482)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccc(C(N)=O)c1O
Show InChI InChI=1S/C22H22ClN3O4S/c1-22(2,3)13-4-7-15(8-5-13)31(29,30)26-18-9-6-14(23)12-17(18)19-20(27)16(21(24)28)10-11-25-19/h4-12,26-27H,1-3H3,(H2,24,28)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113427
PNG
(CHEMBL3604496)
Show SMILES CCc1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H24ClN3O3S/c1-5-18-21(27)20(25-13-24-18)17-12-15(23)8-11-19(17)26-30(28,29)16-9-6-14(7-10-16)22(2,3)4/h6-13,26-27H,5H2,1-4H3
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178709
PNG
(CHEMBL3814683)
Show SMILES CC1(CCOCC1)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-21(6-8-27-9-7-21)15-4-2-14(3-5-15)13-24-18-10-16(22)12-23-17(18)11-19(24)20(25)26/h2-5,10-12H,6-9,13H2,1H3,(H,25,26)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50178713
PNG
(CHEMBL3815051)
Show SMILES COc1ccc2cc(C(O)=O)n(Cc3ccc(cc3)C(C)(C)C)c2c1
Show InChI InChI=1S/C21H23NO3/c1-21(2,3)16-8-5-14(6-9-16)13-22-18-12-17(25-4)10-7-15(18)11-19(22)20(23)24/h5-12H,13H2,1-4H3,(H,23,24)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50178711
PNG
(CHEMBL3814176)
Show SMILES Cc1ccc2cc(C(O)=O)n(Cc3ccc(cc3)C(C)(C)C)c2c1
Show InChI InChI=1S/C21H23NO2/c1-14-5-8-16-12-19(20(23)24)22(18(16)11-14)13-15-6-9-17(10-7-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,23,24)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113447
PNG
(CHEMBL3604478)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1CO
Show InChI InChI=1S/C22H23ClN2O3S/c1-22(2,3)16-6-9-18(10-7-16)29(27,28)25-20-11-8-17(23)13-19(20)21-15(14-26)5-4-12-24-21/h4-13,25-26H,14H2,1-3H3
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178717
PNG
(CHEMBL3815007)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(cc23)C#N)C(O)=O)cn1
Show InChI InChI=1S/C20H19N3O2/c1-20(2,3)18-7-5-14(11-22-18)12-23-16-8-13(10-21)4-6-15(16)9-17(23)19(24)25/h4-9,11H,12H2,1-3H3,(H,24,25)
PDB

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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113448
PNG
(CHEMBL3604477)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1N
Show InChI InChI=1S/C21H22ClN3O2S/c1-21(2,3)14-6-9-16(10-7-14)28(26,27)25-19-11-8-15(22)13-17(19)20-18(23)5-4-12-24-20/h4-13,25H,23H2,1-3H3
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113358
PNG
(CHEMBL3604493)
Show SMILES CN(C)c1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)14-6-9-16(10-7-14)31(29,30)26-18-11-8-15(23)12-17(18)19-20(28)21(27(4)5)25-13-24-19/h6-13,26,28H,1-5H3
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178942
PNG
(CHEMBL3814546)
Show SMILES CC(C)(O)c1ccc(Cn2c(cc3ccc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C19H18ClNO3/c1-19(2,24)14-6-3-12(4-7-14)11-21-16-10-15(20)8-5-13(16)9-17(21)18(22)23/h3-10,24H,11H2,1-2H3,(H,22,23)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50178708
PNG
(CHEMBL3814251)
Show SMILES OC(=O)c1cc2ncc(Cl)cc2n1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H10ClF3N2O2/c17-11-5-13-12(21-7-11)6-14(15(23)24)22(13)8-9-1-3-10(4-2-9)16(18,19)20/h1-7H,8H2,(H,23,24)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113430
PNG
(CHEMBL3604499)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCCO
Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)15-4-7-17(8-5-15)31(29,30)27-19-9-6-16(23)14-18(19)20-21(26-12-13-28)25-11-10-24-20/h4-11,14,27-28H,12-13H2,1-3H3,(H,25,26)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by serum chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50113359
PNG
(CHEMBL3604494)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nncc(N2CCOCC2)c1N
Show InChI InChI=1S/C24H28ClN5O3S/c1-24(2,3)16-4-7-18(8-5-16)34(31,32)29-20-9-6-17(25)14-19(20)23-22(26)21(15-27-28-23)30-10-12-33-13-11-30/h4-9,14-15,29H,10-13H2,1-3H3,(H2,26,27)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178943
PNG
(CHEMBL3814577)
Show SMILES CC(C)(c1ncco1)c1ccc(Cn2c(cc3ccc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C22H19ClN2O3/c1-22(2,21-24-9-10-28-21)16-6-3-14(4-7-16)13-25-18-12-17(23)8-5-15(18)11-19(25)20(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/a 207n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113356
PNG
(CHEMBL3604491)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(NCCO)ncc1O
Show InChI InChI=1S/C22H25ClN4O4S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)27-18-9-6-15(23)12-17(18)20-19(29)13-25-21(26-20)24-10-11-28/h4-9,12-13,27-29H,10-11H2,1-3H3,(H,24,25,26)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)

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


(Homo sapiens)
BDBM50178707
PNG
(CHEMBL3814811)
Show SMILES COCC(C)(C)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C20H21ClN2O3/c1-20(2,12-26-3)14-6-4-13(5-7-14)11-23-17-8-15(21)10-22-16(17)9-18(23)19(24)25/h4-10H,11-12H2,1-3H3,(H,24,25)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CCR9-mediated chemotaxis in human MOLT4 cells preincubated for 10 mins followed by TECK addition in presence of 0.1% BSA measured after...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50178703
PNG
(CHEMBL3814202)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C20H20ClNO2/c1-20(2,3)15-7-4-13(5-8-15)12-22-17-11-16(21)9-6-14(17)10-18(22)19(23)24/h4-11H,12H2,1-3H3,(H,23,24)
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n/an/a 232n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50178944
PNG
(CHEMBL3814185)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3sccc23)C(O)=O)cc1
Show InChI InChI=1S/C18H19NO2S/c1-18(2,3)13-6-4-12(5-7-13)11-19-14-8-9-22-16(14)10-15(19)17(20)21/h4-10H,11H2,1-3H3,(H,20,21)
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n/an/a 232n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)

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


(Homo sapiens)
BDBM50113428
PNG
(CHEMBL3604497)
Show SMILES CNc1nccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN4O2S/c1-21(2,3)14-5-8-16(9-6-14)29(27,28)26-18-10-7-15(22)13-17(18)19-20(23-4)25-12-11-24-19/h5-13,26H,1-4H3,(H,23,25)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay


Bioorg Med Chem Lett 25: 3661-4 (2015)

More data for this
Ligand-Target Pair
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