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Compile Data Set for Download or QSAR

Found 91 hits from Cubist Pharmaceuticals   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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 29n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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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n/an/a 29n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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 30n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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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n/an/a 34n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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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n/an/a 34n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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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n/an/a 35n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 36n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 52n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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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n/an/a 60n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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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n/an/a 70n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 75n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 85n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 89n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)
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n/an/a 93n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 95n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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 105n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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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n/an/a 111n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 113n/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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 170n/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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 190n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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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n/an/a 214n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
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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n/an/a 218n/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
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 235n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50143184
PNG
(CHEMBL3759063)
Show SMILES O=c1ccc2c(n[nH]c2[nH]1)-c1cnc(s1)-c1cccnc1
Show InChI InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)
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n/an/a 265n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
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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n/an/a 268n/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)


Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123
More data for this
Ligand-Target Pair
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