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Compile Data Set for Download or QSAR

Found 233 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 8'   
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 8


(Homo sapiens)
BDBM50203831
PNG
(CHEMBL374939 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)
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n/an/a 0.300n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50185909
PNG
(2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...)
Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40)
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n/an/a 1n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8


J Med Chem 49: 2669-72 (2006)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414981
PNG
(CHEMBL567417)
Show SMILES CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1
Show InChI InChI=1S/C29H40N4O2/c1-3-10-29(4-2)19-24-22(6-5-7-26(24)35-29)21-32-15-11-28(12-16-32)13-17-33(18-14-28)27(34)25-9-8-23(30)20-31-25/h5-9,20H,3-4,10-19,21,30H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414974
PNG
(CHEMBL568523)
Show SMILES CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)c2O1
Show InChI InChI=1S/C26H34N4O2/c1-25(2)16-19-4-3-5-20(23(19)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-21(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3
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n/an/a 2.63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414982
PNG
(CHEMBL579072)
Show SMILES CC1(C)Oc2c(cccc2CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(N)cn2)C1(F)F
Show InChI InChI=1S/C26H32F2N4O2/c1-24(2)26(27,28)20-5-3-4-18(22(20)34-24)17-31-12-8-25(9-13-31)10-14-32(15-11-25)23(33)21-7-6-19(29)16-30-21/h3-7,16H,8-15,17,29H2,1-2H3
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n/an/a 2.63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414980
PNG
(CHEMBL568294)
Show SMILES CC(C)(C)C1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1
Show InChI InChI=1S/C29H40N4O2/c1-27(2,3)28(4)18-23-21(6-5-7-25(23)35-28)20-32-14-10-29(11-15-32)12-16-33(17-13-29)26(34)24-9-8-22(30)19-31-24/h5-9,19H,10-18,20,30H2,1-4H3
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n/an/a 2.82n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50185912
PNG
(2-(4-{1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-...)
Show SMILES CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C34H40ClN3O4/c1-33(2,32(40)41)38-21-17-34(18-22-38,26-10-4-3-5-11-26)31(39)36-27-15-19-37(20-16-27)24-25-9-8-12-28(23-25)42-30-14-7-6-13-29(30)35/h3-14,23,27H,15-22,24H2,1-2H3,(H,36,39)(H,40,41)
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n/an/a 4n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8


J Med Chem 49: 2669-72 (2006)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203869
PNG
(3-pyrrolidin-1-ylpropyl 4-[({4-[(2-methylbenzoyl)a...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)OCCCN1CCCC1
Show InChI InChI=1S/C31H38N4O5S/c1-23-9-2-3-10-25(23)30(36)32-28-13-14-29(27-12-5-4-11-26(27)28)41(38,39)33-24-15-20-35(21-16-24)31(37)40-22-8-19-34-17-6-7-18-34/h2-5,9-14,24,33H,6-8,15-22H2,1H3,(H,32,36)
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n/an/a 4.20n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414983
PNG
(CHEMBL574655)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccncn2)c1
Show InChI InChI=1S/C28H32N4O3/c1-34-25-7-2-3-8-26(25)35-23-6-4-5-22(19-23)20-31-15-10-28(11-16-31)12-17-32(18-13-28)27(33)24-9-14-29-21-30-24/h2-9,14,19,21H,10-13,15-18,20H2,1H3
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n/an/a 4.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203908
PNG
(CHEMBL221790 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)c2ccccc12
Show InChI InChI=1S/C27H31N3O4S/c1-3-7-26(31)30-16-14-21(15-17-30)29-35(33,34)25-13-12-24(22-10-4-5-11-23(22)25)28-27(32)20-9-6-8-19(2)18-20/h4-6,8-13,18,21,29H,3,7,14-17H2,1-2H3,(H,28,32)
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n/an/a 5.10n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414986
PNG
(CHEMBL568522)
Show SMILES CC1(C)Oc2c(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)cccc2C=C1
Show InChI InChI=1S/C27H34N4O2/c1-26(2)8-6-20-4-3-5-22(24(20)33-26)19-30-14-9-27(10-15-30)11-16-31(17-12-27)25(32)21-7-13-29-23(28)18-21/h3-8,13,18H,9-12,14-17,19H2,1-2H3,(H2,28,29)
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n/an/a 5.62n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203922
PNG
(CHEMBL221586 | cyclohexanecarboxylic acid [4-(1-bu...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)c2ccccc12
Show InChI InChI=1S/C26H35N3O4S/c1-2-8-25(30)29-17-15-20(16-18-29)28-34(32,33)24-14-13-23(21-11-6-7-12-22(21)24)27-26(31)19-9-4-3-5-10-19/h6-7,11-14,19-20,28H,2-5,8-10,15-18H2,1H3,(H,27,31)
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n/an/a 6.10n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414975
PNG
(CHEMBL584087)
Show SMILES CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1
Show InChI InChI=1S/C25H32N4O3/c1-24(2)31-20-5-3-4-19(22(20)32-24)17-28-12-7-25(8-13-28)9-14-29(15-10-25)23(30)18-6-11-27-21(26)16-18/h3-6,11,16H,7-10,12-15,17H2,1-2H3,(H2,26,27)
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n/an/a 6.61n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203899
PNG
(4-tert-butyl-N-(4-{[(1-butyrylpiperidin-4-yl)amino...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)c2ccccc12
Show InChI InChI=1S/C30H37N3O4S/c1-5-8-28(34)33-19-17-23(18-20-33)32-38(36,37)27-16-15-26(24-9-6-7-10-25(24)27)31-29(35)21-11-13-22(14-12-21)30(2,3)4/h6-7,9-16,23,32H,5,8,17-20H2,1-4H3,(H,31,35)
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n/an/a 6.90n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203877
PNG
(CHEMBL220652 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)C(CC)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H35N3O4S/c1-3-10-28(33)32-19-17-22(18-20-32)31-37(35,36)27-16-15-26(24-13-8-9-14-25(24)27)30-29(34)23(4-2)21-11-6-5-7-12-21/h5-9,11-16,22-23,31H,3-4,10,17-20H2,1-2H3,(H,30,34)
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n/an/a 7.65n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414978
PNG
(CHEMBL566543)
Show SMILES CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1
Show InChI InChI=1S/C26H34N4O2/c1-25(2)16-21-19(4-3-5-23(21)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-20(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3
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n/an/a 8.13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203842
PNG
(CHEMBL222062 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C27H31N3O4S/c1-3-6-26(31)30-17-15-21(16-18-30)29-35(33,34)25-14-13-24(22-7-4-5-8-23(22)25)28-27(32)20-11-9-19(2)10-12-20/h4-5,7-14,21,29H,3,6,15-18H2,1-2H3,(H,28,32)
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n/an/a 9.5n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203870
PNG
(3-(dimethylamino)propyl 4-[({4-[(2-methylbenzoyl)a...)
Show SMILES CN(C)CCCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C29H36N4O5S/c1-21-9-4-5-10-23(21)28(34)30-26-13-14-27(25-12-7-6-11-24(25)26)39(36,37)31-22-15-18-33(19-16-22)29(35)38-20-8-17-32(2)3/h4-7,9-14,22,31H,8,15-20H2,1-3H3,(H,30,34)
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n/an/a 9.80n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203896
PNG
(CHEMBL374978 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(CC)cc2)c2ccccc12
Show InChI InChI=1S/C28H33N3O4S/c1-3-7-27(32)31-18-16-22(17-19-31)30-36(34,35)26-15-14-25(23-8-5-6-9-24(23)26)29-28(33)21-12-10-20(4-2)11-13-21/h5-6,8-15,22,30H,3-4,7,16-19H2,1-2H3,(H,29,33)
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n/an/a 10.8n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50185905
PNG
(4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-met...)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35)
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n/an/a 11n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8


J Med Chem 49: 2669-72 (2006)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414964
PNG
(CHEMBL271128)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3
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n/an/a 11.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50423492
PNG
(CHEMBL409648)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-7-2-3-8-28(27)36-26-6-4-5-23(21-26)22-32-17-13-30(14-18-32)15-19-33(20-16-30)29(34)24-9-11-25(31)12-10-24/h2-12,21H,13-20,22H2,1H3
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 receptor


J Med Chem 51: 1162-78 (2008)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414964
PNG
(CHEMBL271128)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 receptor


J Med Chem 51: 1162-78 (2008)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203864
PNG
(CHEMBL426551 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H29N3O4S/c1-2-8-25(30)29-17-15-20(16-18-29)28-34(32,33)24-14-13-23(21-11-6-7-12-22(21)24)27-26(31)19-9-4-3-5-10-19/h3-7,9-14,20,28H,2,8,15-18H2,1H3,(H,27,31)
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n/an/a 12.5n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203887
PNG
(3-(diethylamino)propyl 4-[({4-[(2-methylbenzoyl)am...)
Show SMILES CCN(CC)CCCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C31H40N4O5S/c1-4-34(5-2)19-10-22-40-31(37)35-20-17-24(18-21-35)33-41(38,39)29-16-15-28(26-13-8-9-14-27(26)29)32-30(36)25-12-7-6-11-23(25)3/h6-9,11-16,24,33H,4-5,10,17-22H2,1-3H3,(H,32,36)
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n/an/a 14.5n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414966
PNG
(CHEMBL573216)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1
Show InChI InChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3
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n/an/a 14.8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203915
PNG
(4-butyl-N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulf...)
Show SMILES CCCCc1ccc(cc1)C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CCC
Show InChI InChI=1S/C30H37N3O4S/c1-3-5-9-22-12-14-23(15-13-22)30(35)31-27-16-17-28(26-11-7-6-10-25(26)27)38(36,37)32-24-18-20-33(21-19-24)29(34)8-4-2/h6-7,10-17,24,32H,3-5,8-9,18-21H2,1-2H3,(H,31,35)
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n/an/a 15.3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50411749
PNG
(CHEMBL271127)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccn1
Show InChI InChI=1S/C29H33N3O3/c1-34-26-11-4-5-12-27(26)35-25-10-3-2-8-23(25)22-31-18-13-29(14-19-31)15-20-32(21-16-29)28(33)24-9-6-7-17-30-24/h2-12,17H,13-16,18-22H2,1H3
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 receptor


J Med Chem 51: 1162-78 (2008)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414967
PNG
(CHEMBL271801)
Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1
Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2
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n/an/a 17.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414967
PNG
(CHEMBL271801)
Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1
Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 receptor


J Med Chem 51: 1162-78 (2008)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414957
PNG
(CHEMBL429436)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1
Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 receptor


J Med Chem 51: 1162-78 (2008)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414957
PNG
(CHEMBL429436)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1
Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2
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n/an/a 19.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203907
PNG
(CHEMBL219380 | N-[4-(1-butyryl-piperidin-4-ylsulfa...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C26H28FN3O4S/c1-2-7-25(31)30-16-14-18(15-17-30)29-35(33,34)24-13-12-23(19-8-3-4-9-20(19)24)28-26(32)21-10-5-6-11-22(21)27/h3-6,8-13,18,29H,2,7,14-17H2,1H3,(H,28,32)
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n/an/a 19.2n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203893
PNG
(3-(2,6-dimethylmorpholin-4-yl)propyl-4-[({4-[(2-me...)
Show SMILES CC1CN(CCCOC(=O)N2CCC(CC2)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC(C)O1
Show InChI InChI=1S/C33H42N4O6S/c1-23-9-4-5-10-27(23)32(38)34-30-13-14-31(29-12-7-6-11-28(29)30)44(40,41)35-26-15-18-37(19-16-26)33(39)42-20-8-17-36-21-24(2)43-25(3)22-36/h4-7,9-14,24-26,35H,8,15-22H2,1-3H3,(H,34,38)
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n/an/a 19.6n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50423246
PNG
(CHEMBL245568 | SB-649701)
Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...


Bioorg Med Chem Lett 17: 1722-5 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203852
PNG
(CHEMBL221639 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C26H28FN3O4S/c1-2-6-25(31)30-15-13-20(14-16-30)29-35(33,34)24-12-11-23(21-9-3-4-10-22(21)24)28-26(32)18-7-5-8-19(27)17-18/h3-5,7-12,17,20,29H,2,6,13-16H2,1H3,(H,28,32)
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n/an/a 20n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203891
PNG
(CHEMBL221842 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2nccn2C)c2ccccc12
Show InChI InChI=1S/C24H29N5O4S/c1-3-6-22(30)29-14-11-17(12-15-29)27-34(32,33)21-10-9-20(18-7-4-5-8-19(18)21)26-24(31)23-25-13-16-28(23)2/h4-5,7-10,13,16-17,27H,3,6,11-12,14-15H2,1-2H3,(H,26,31)
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n/an/a 20.4n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50185904
PNG
((+/-) 3-phenyl-pyrrolidine-3-carboxylic acid {1-[3...)
Show SMILES Clc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNC2)c2ccccc2)c1
Show InChI InChI=1S/C29H32ClN3O2/c30-26-11-4-5-12-27(26)35-25-10-6-7-22(19-25)20-33-17-13-24(14-18-33)32-28(34)29(15-16-31-21-29)23-8-2-1-3-9-23/h1-12,19,24,31H,13-18,20-21H2,(H,32,34)
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n/an/a 22n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8


J Med Chem 49: 2669-72 (2006)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414977
PNG
(CHEMBL567627)
Show SMILES CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccnc(N)c1
Show InChI InChI=1S/C26H34N4O2/c1-25(2)17-21-20(4-3-5-22(21)32-25)18-29-12-7-26(8-13-29)9-14-30(15-10-26)24(31)19-6-11-28-23(27)16-19/h3-6,11,16H,7-10,12-15,17-18H2,1-2H3,(H2,27,28)
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n/an/a 22.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414976
PNG
(CHEMBL566324)
Show SMILES CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ncccc3N)c2O1
Show InChI InChI=1S/C26H34N4O2/c1-25(2)17-19-5-3-6-20(23(19)32-25)18-29-13-8-26(9-14-29)10-15-30(16-11-26)24(31)22-21(27)7-4-12-28-22/h3-7,12H,8-11,13-18,27H2,1-2H3
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n/an/a 22.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203894
PNG
(CHEMBL374414 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3s2)c2ccccc12
Show InChI InChI=1S/C28H29N3O4S2/c1-2-7-27(32)31-16-14-20(15-17-31)30-37(34,35)26-13-12-23(21-9-4-5-10-22(21)26)29-28(33)25-18-19-8-3-6-11-24(19)36-25/h3-6,8-13,18,20,30H,2,7,14-17H2,1H3,(H,29,33)
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n/an/a 23.6n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203906
PNG
(4-(benzyloxy)-N-(4-{[(1-butyrylpiperidin-4-yl)amin...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C33H35N3O5S/c1-2-8-32(37)36-21-19-26(20-22-36)35-42(39,40)31-18-17-30(28-11-6-7-12-29(28)31)34-33(38)25-13-15-27(16-14-25)41-23-24-9-4-3-5-10-24/h3-7,9-18,26,35H,2,8,19-23H2,1H3,(H,34,38)
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n/an/a 24.6n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50423246
PNG
(CHEMBL245568 | SB-649701)
Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...


Bioorg Med Chem Lett 17: 1722-5 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50423493
PNG
(CHEMBL411651)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2cccc[n+]2[O-])c1
Show InChI InChI=1S/C29H33N3O4/c1-35-26-10-2-3-11-27(26)36-24-8-6-7-23(21-24)22-30-17-12-29(13-18-30)14-19-31(20-15-29)28(33)25-9-4-5-16-32(25)34/h2-11,16,21H,12-15,17-20,22H2,1H3
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 receptor


J Med Chem 51: 1162-78 (2008)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414968
PNG
(CHEMBL410885)
Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncn1
Show InChI InChI=1S/C27H30N4O2/c32-26(25-9-14-28-21-29-25)31-17-12-27(13-18-31)10-15-30(16-11-27)20-22-5-4-8-24(19-22)33-23-6-2-1-3-7-23/h1-9,14,19,21H,10-13,15-18,20H2
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n/an/a 27.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414968
PNG
(CHEMBL410885)
Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncn1
Show InChI InChI=1S/C27H30N4O2/c32-26(25-9-14-28-21-29-25)31-17-12-27(13-18-31)10-15-30(16-11-27)20-22-5-4-8-24(19-22)33-23-6-2-1-3-7-23/h1-9,14,19,21H,10-13,15-18,20H2
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 receptor


J Med Chem 51: 1162-78 (2008)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50203886
PNG
(3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl 4-[({4-[...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)OCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C36H40N4O5S/c1-26-9-2-5-12-30(26)35(41)37-33-15-16-34(32-14-7-6-13-31(32)33)46(43,44)38-29-18-22-40(23-19-29)36(42)45-24-8-20-39-21-17-27-10-3-4-11-28(27)25-39/h2-7,9-16,29,38H,8,17-25H2,1H3,(H,37,41)
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n/an/a 28.6n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414979
PNG
(CHEMBL583621)
Show SMILES CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
Show InChI InChI=1S/C26H33N3O2/c1-25(2)18-22-21(4-3-5-23(22)31-25)19-28-14-8-26(9-15-28)10-16-29(17-11-26)24(30)20-6-12-27-13-7-20/h3-7,12-13H,8-11,14-19H2,1-2H3
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n/an/a 30.9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50423251
PNG
(CHEMBL240461)
Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1
Show InChI InChI=1S/C26H27N5O3/c1-33-24-7-6-22-25(29-24)20(8-11-27-22)23-16-31(26(32)34-23)19-9-12-30(13-10-19)15-18-14-17-4-2-3-5-21(17)28-18/h2-8,11,14,19,23,28H,9-10,12-13,15-16H2,1H3
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...


Bioorg Med Chem Lett 17: 1722-5 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens)
BDBM50414969
PNG
(CHEMBL272022)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2cc[n+]([O-])cc2)c1
Show InChI InChI=1S/C29H33N3O4/c1-35-26-7-2-3-8-27(26)36-25-6-4-5-23(21-25)22-30-17-11-29(12-18-30)13-19-31(20-14-29)28(33)24-9-15-32(34)16-10-24/h2-10,15-16,21H,11-14,17-20,22H2,1H3
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n/an/a 32.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)

More data for this
Ligand-Target Pair
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