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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 9'   
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)
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 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)
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)
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)
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)
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)
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)
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)
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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n/an/a 25n/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)
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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n/an/a 26n/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)
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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n/an/a 27n/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)
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)
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)
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)
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)
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)
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)
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)
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
C-C chemokine receptor type 9


(Homo sapiens)
BDBM50113434
PNG
(CHEMBL3604503)
Show SMILES Cc1cnc(c(NCCO)n1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H27ClN4O3S/c1-15-14-26-21(22(27-15)25-11-12-29)19-13-17(24)7-10-20(19)28-32(30,31)18-8-5-16(6-9-18)23(2,3)4/h5-10,13-14,28-29H,11-12H2,1-4H3,(H,25,27)
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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)
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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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)
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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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)
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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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)
BDBM50113429
PNG
(CHEMBL3604498)
Show SMILES CCNc1nccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H25ClN4O2S/c1-5-24-21-20(25-12-13-26-21)18-14-16(23)8-11-19(18)27-30(28,29)17-9-6-15(7-10-17)22(2,3)4/h6-14,27H,5H2,1-4H3,(H,24,26)
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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)
BDBM50113439
PNG
(CHEMBL3604481)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1c(O)ccc[n+]1[O-]
Show InChI InChI=1S/C21H21ClN2O4S/c1-21(2,3)14-6-9-16(10-7-14)29(27,28)23-18-11-8-15(22)13-17(18)20-19(25)5-4-12-24(20)26/h4-13,23,25H,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)
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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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
3D
3D Structure (crystal)
C-C chemokine receptor type 9


(Homo sapiens)
BDBM50113431
PNG
(CHEMBL3604500)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCCCO
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2,3)16-5-8-18(9-6-16)32(30,31)28-20-10-7-17(24)15-19(20)21-22(26-11-4-14-29)27-13-12-25-21/h5-10,12-13,15,28-29H,4,11,14H2,1-3H3,(H,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)
BDBM50113437
PNG
(CHEMBL3604505)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(Cl)cnc1NCCO
Show InChI InChI=1S/C22H24Cl2N4O3S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)28-18-9-6-15(23)12-17(18)20-21(25-10-11-29)26-13-19(24)27-20/h4-9,12-13,28-29H,10-11H2,1-3H3,(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)
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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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)
BDBM50113433
PNG
(CHEMBL3604502)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCC(O)=O
Show InChI InChI=1S/C22H23ClN4O4S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)27-18-9-6-15(23)12-17(18)20-21(25-11-10-24-20)26-13-19(28)29/h4-12,27H,13H2,1-3H3,(H,25,26)(H,28,29)
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n/an/a 812n/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)
BDBM50113449
PNG
(CHEMBL3604475)
Show SMILES COc1cccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H23ClN2O3S/c1-22(2,3)15-7-10-17(11-8-15)29(26,27)25-19-12-9-16(23)14-18(19)21-20(28-4)6-5-13-24-21/h5-14,25H,1-4H3
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n/an/a 958n/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)
BDBM50113435
PNG
(CHEMBL3604504)
Show SMILES CNc1cnc(c(NCCO)n1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H28ClN5O3S/c1-23(2,3)15-5-8-17(9-6-15)33(31,32)29-19-10-7-16(24)13-18(19)21-22(26-11-12-30)28-20(25-4)14-27-21/h5-10,13-14,29-30H,11-12H2,1-4H3,(H2,25,26,28)
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n/an/a 1.01E+3n/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)
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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n/an/a 1.31E+3n/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)
BDBM50113439
PNG
(CHEMBL3604481)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1c(O)ccc[n+]1[O-]
Show InChI InChI=1S/C21H21ClN2O4S/c1-21(2,3)14-6-9-16(10-7-14)29(27,28)23-18-11-8-15(22)13-17(18)20-19(25)5-4-12-24(20)26/h4-13,23,25H,1-3H3
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n/an/a 1.75E+3n/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)
BDBM50113450
PNG
(CHEMBL3604474)
Show SMILES COc1ccnc(c1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H23ClN2O3S/c1-22(2,3)15-5-8-18(9-6-15)29(26,27)25-20-10-7-16(23)13-19(20)21-14-17(28-4)11-12-24-21/h5-14,25H,1-4H3
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n/an/a 2.50E+3n/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)
BDBM50113446
PNG
(CHEMBL3604479)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1CN
Show InChI InChI=1S/C22H24ClN3O2S/c1-22(2,3)16-6-9-18(10-7-16)29(27,28)26-20-11-8-17(23)13-19(20)21-15(14-24)5-4-12-25-21/h4-13,26H,14,24H2,1-3H3
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n/an/a 3.16E+3n/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
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