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Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'larosa' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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0.0520n/an/an/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin)


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


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



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
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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9n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185908
PNG
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)
Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1
Show InChI InChI=1S/C33H41N3O3/c1-3-35-22-18-33(19-23-35,27-11-5-4-6-12-27)32(37)34-28-16-20-36(21-17-28)25-26-10-9-13-29(24-26)39-31-15-8-7-14-30(31)38-2/h4-15,24,28H,3,16-23,25H2,1-2H3,(H,34,37)
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11n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185910
PNG
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)
Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37)
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15n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185906
PNG
(1-[3-(2-chlorophenoxy)benzyl]-4-{[(1-ethyl-4-pheny...)
Show SMILES CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C33H38ClN3O4/c1-2-36-19-15-32(16-20-36,26-10-4-3-5-11-26)30(38)35-33(31(39)40)17-21-37(22-18-33)24-25-9-8-12-27(23-25)41-29-14-7-6-13-28(29)34/h3-14,23H,2,15-22,24H2,1H3,(H,35,38)(H,39,40)
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23n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
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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27n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185902
PNG
(1-[3-(2-methoxy-phenoxy)-benzyl]-4-[(4-phenyl-pipe...)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1
Show InChI InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38)
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60n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
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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62n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209260
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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148n/an/an/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR (unknown origin)


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209260
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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150n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of mouse MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209278
PNG
((S)-N-(1-(2-carbamoylphenethyl)piperidin-4-yl)-1-(...)
Show SMILES CN(C1CCN(CCc2ccccc2C(N)=O)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H35ClN4O4S/c1-33(23-14-18-34(19-15-23)17-13-21-6-2-3-8-26(21)29(32)36)30(37)28-10-5-16-35(28)40(38,39)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3,(H2,32,36)/t28-/m0/s1
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240n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185915
PNG
(1-(4-chloro-phenyl)-cyclohexanecarboxylic acid {1-...)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCCCC2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C32H37ClN2O3/c1-37-29-10-3-4-11-30(29)38-28-9-7-8-24(22-28)23-35-20-16-27(17-21-35)34-31(36)32(18-5-2-6-19-32)25-12-14-26(33)15-13-25/h3-4,7-15,22,27H,2,5-6,16-21,23H2,1H3,(H,34,36)
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250n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185907
PNG
(CHEMBL210322 | N-{1-[3-(2-methoxy-phenoxy)-benzyl]...)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C27H30N2O3/c1-31-25-12-5-6-13-26(25)32-24-11-7-10-22(18-24)20-29-16-14-23(15-17-29)28-27(30)19-21-8-3-2-4-9-21/h2-13,18,23H,14-17,19-20H2,1H3,(H,28,30)
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250n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209261
PNG
((S)-N-(1-(2-fluorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33ClFN3O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-9-27(21)31)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-8-26(25)30/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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260n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209251
PNG
((S)-N-(1-(2-aminophenethyl)piperidin-4-yl)-1-(5-ch...)
Show SMILES CN(C1CCN(CCc2ccccc2N)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H35ClN4O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-9-27(21)31)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-8-26(25)30/h2-4,6-9,11-12,20,23,28H,5,10,13-19,31H2,1H3/t28-/m0/s1
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280n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209257
PNG
((S)-N-(1-(3-chlorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2cccc(Cl)c2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33Cl2N3O3S/c1-32(24-13-17-33(18-14-24)16-12-21-5-2-7-23(30)19-21)29(35)28-9-4-15-34(28)38(36,37)25-10-11-26-22(20-25)6-3-8-27(26)31/h2-3,5-8,10-11,19-20,24,28H,4,9,12-18H2,1H3/t28-/m0/s1
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400n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209279
PNG
((S)-N-(1-(2-(trifluoromethyl)phenethyl)piperidin-4...)
Show SMILES CN(C1CCN(CCc2ccccc2C(F)(F)F)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H33ClF3N3O3S/c1-35(23-14-18-36(19-15-23)17-13-21-6-2-3-8-26(21)30(32,33)34)29(38)28-10-5-16-37(28)41(39,40)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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420n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209262
PNG
((S)-N-(1-(2-chlorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2ccccc2Cl)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33Cl2N3O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-8-26(21)30)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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460n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209265
PNG
((S)-N-(1-(3-methoxyphenethyl)piperidin-4-yl)-1-(5-...)
Show SMILES COc1cccc(CCN2CCC(CC2)N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1
Show InChI InChI=1S/C30H36ClN3O4S/c1-32(24-14-18-33(19-15-24)17-13-22-6-3-8-25(20-22)38-2)30(35)29-10-5-16-34(29)39(36,37)26-11-12-27-23(21-26)7-4-9-28(27)31/h3-4,6-9,11-12,20-21,24,29H,5,10,13-19H2,1-2H3/t29-/m0/s1
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470n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209260
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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500n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209253
PNG
((S)-2-(2-(4-(1-(5-chloronaphthalen-2-ylsulfonyl)-N...)
Show SMILES CN(C1CCN(CCc2ccccc2C(O)=O)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H34ClN3O5S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-8-26(21)30(36)37)29(35)28-10-5-16-34(28)40(38,39)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3,(H,36,37)/t28-/m0/s1
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530n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209268
PNG
((S)-N-methyl-1-(naphthalen-2-ylsulfonyl)-N-(1-phen...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H35N3O3S/c1-30(26-16-20-31(21-17-26)19-15-23-8-3-2-4-9-23)29(33)28-12-7-18-32(28)36(34,35)27-14-13-24-10-5-6-11-25(24)22-27/h2-6,8-11,13-14,22,26,28H,7,12,15-21H2,1H3/t28-/m0/s1
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590n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209255
PNG
((S)-N-methyl-1-(naphthalen-2-ylsulfonyl)-N-(1-(3-p...)
Show SMILES CN(C1CCN(CCCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H37N3O3S/c1-31(27-17-21-32(22-18-27)19-7-11-24-9-3-2-4-10-24)30(34)29-14-8-20-33(29)37(35,36)28-16-15-25-12-5-6-13-26(25)23-28/h2-6,9-10,12-13,15-16,23,27,29H,7-8,11,14,17-22H2,1H3/t29-/m0/s1
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620n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
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)
PDB
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800n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209258
PNG
((S)-N-(1-(4-chlorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33Cl2N3O3S/c1-32(24-14-18-33(19-15-24)17-13-21-7-9-23(30)10-8-21)29(35)28-6-3-16-34(28)38(36,37)25-11-12-26-22(20-25)4-2-5-27(26)31/h2,4-5,7-12,20,24,28H,3,6,13-19H2,1H3/t28-/m0/s1
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820n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209269
PNG
((S)-1-(5-fluoronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(F)cccc2c1
Show InChI InChI=1S/C29H34FN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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850n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209263
PNG
((S)-N-(1-benzylpiperidin-4-yl)-N-methyl-1-(naphtha...)
Show SMILES CN(C1CCN(Cc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H33N3O3S/c1-29(25-15-18-30(19-16-25)21-22-8-3-2-4-9-22)28(32)27-12-7-17-31(27)35(33,34)26-14-13-23-10-5-6-11-24(23)20-26/h2-6,8-11,13-14,20,25,27H,7,12,15-19,21H2,1H3/t27-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185911
PNG
(CHEMBL205692 | N-[1-(3-phenoxy-benzyl)-piperidin-4...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
Show InChI InChI=1S/C26H28N2O2/c29-26(19-21-8-3-1-4-9-21)27-23-14-16-28(17-15-23)20-22-10-7-13-25(18-22)30-24-11-5-2-6-12-24/h1-13,18,23H,14-17,19-20H2,(H,27,29)
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1.40E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185903
PNG
(1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ...)
Show SMILES CCOC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
Show InChI InChI=1S/C21H25NO3/c1-2-24-21(23)18-11-13-22(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3
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2.60E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209281
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-ethyl-N-...)
Show SMILES CCN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H36ClN3O3S/c1-2-33(25-16-20-32(21-17-25)19-15-23-8-4-3-5-9-23)30(35)29-12-7-18-34(29)38(36,37)26-13-14-27-24(22-26)10-6-11-28(27)31/h3-6,8-11,13-14,22,25,29H,2,7,12,15-21H2,1H3/t29-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209270
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(naphthalen-2-yls...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O3S/c31-27(28-24-14-17-29(18-15-24)20-21-7-2-1-3-8-21)26-11-6-16-30(26)34(32,33)25-13-12-22-9-4-5-10-23(22)19-25/h1-5,7-10,12-13,19,24,26H,6,11,14-18,20H2,(H,28,31)/t26-/m0/s1
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4.60E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185916
PNG
(1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ...)
Show SMILES CCNC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-2-22-21(24)18-11-13-23(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24)
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9.10E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185913
PNG
(CHEMBL381354 | N-[1-(3-phenoxy-benzyl)-piperidin-4...)
Show SMILES CCC(=O)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-2-21(24)22-18-11-13-23(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24)
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9.20E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209256
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(4-isopropylpheny...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H35N3O3S/c1-20(2)22-10-12-24(13-11-22)33(31,32)29-16-6-9-25(29)26(30)27-23-14-17-28(18-15-23)19-21-7-4-3-5-8-21/h3-5,7-8,10-13,20,23,25H,6,9,14-19H2,1-2H3,(H,27,30)/t25-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209250
PNG
((S)-N-methyl-1-(naphthalen-2-ylsulfonyl)-N-(1-(phe...)
Show SMILES CN(C1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O5S2/c1-28(23-15-18-29(19-16-23)36(32,33)24-10-3-2-4-11-24)27(31)26-12-7-17-30(26)37(34,35)25-14-13-21-8-5-6-9-22(21)20-25/h2-6,8-11,13-14,20,23,26H,7,12,15-19H2,1H3/t26-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209247
PNG
((S)-1-(5-aminonaphthalen-2-ylsulfonyl)-N-methyl-N-...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(N)cccc2c1
Show InChI InChI=1S/C29H36N4O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20,30H2,1H3/t28-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209248
PNG
((S)-ethyl 2-(1-(naphthalen-2-ylsulfonyl)-N-(1-phen...)
Show SMILES CCOC(=O)CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H39N3O5S/c1-2-40-31(36)24-34(28-17-21-33(22-18-28)20-16-25-9-4-3-5-10-25)32(37)30-13-8-19-35(30)41(38,39)29-15-14-26-11-6-7-12-27(26)23-29/h3-7,9-12,14-15,23,28,30H,2,8,13,16-22,24H2,1H3/t30-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209246
PNG
((S)-1-(naphthalen-2-ylsulfonyl)-N-(1-(pyridin-3-yl...)
Show SMILES O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c31-26(28-23-11-15-29(16-12-23)19-20-5-3-13-27-18-20)25-8-4-14-30(25)34(32,33)24-10-9-21-6-1-2-7-22(21)17-24/h1-3,5-7,9-10,13,17-18,23,25H,4,8,11-12,14-16,19H2,(H,28,31)/t25-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
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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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185906
PNG
(1-[3-(2-chlorophenoxy)benzyl]-4-{[(1-ethyl-4-pheny...)
Show SMILES CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C33H38ClN3O4/c1-2-36-19-15-32(16-20-36,26-10-4-3-5-11-26)30(38)35-33(31(39)40)17-21-37(22-18-33)24-25-9-8-12-27(23-25)41-29-14-7-6-13-28(29)34/h3-14,23H,2,15-22,24H2,1H3,(H,35,38)(H,39,40)
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185902
PNG
(1-[3-(2-methoxy-phenoxy)-benzyl]-4-[(4-phenyl-pipe...)
Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1
Show InChI InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38)
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209252
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CC1)C(=O)Cc1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H32ClN3O4S/c1-31(23-14-17-32(18-15-23)28(34)19-21-7-3-2-4-8-21)29(35)27-11-6-16-33(27)38(36,37)24-12-13-25-22(20-24)9-5-10-26(25)30/h2-5,7-10,12-13,20,23,27H,6,11,14-19H2,1H3/t27-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209275
PNG
((S)-N-(1-isobutylpiperidin-4-yl)-1-(naphthalen-2-y...)
Show SMILES CC(C)CN1CCC(CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H33N3O3S/c1-18(2)17-26-14-11-21(12-15-26)25-24(28)23-8-5-13-27(23)31(29,30)22-10-9-19-6-3-4-7-20(19)16-22/h3-4,6-7,9-10,16,18,21,23H,5,8,11-15,17H2,1-2H3,(H,25,28)/t23-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209273
PNG
((S)-1-(5-acetamidonaphthalen-2-ylsulfonyl)-N-methy...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(NC(C)=O)cccc2c1
Show InChI InChI=1S/C31H38N4O4S/c1-23(36)32-29-11-6-10-25-22-27(13-14-28(25)29)40(38,39)35-18-7-12-30(35)31(37)33(2)26-16-20-34(21-17-26)19-15-24-8-4-3-5-9-24/h3-6,8-11,13-14,22,26,30H,7,12,15-21H2,1-2H3,(H,32,36)/t30-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209274
PNG
((S)-N-(2-morpholinoethyl)-1-(naphthalen-2-ylsulfon...)
Show SMILES O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)N(CCN1CCOCC1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C34H44N4O4S/c39-34(33-11-6-17-38(33)43(40,41)32-13-12-29-9-4-5-10-30(29)27-32)37(22-21-36-23-25-42-26-24-36)31-15-19-35(20-16-31)18-14-28-7-2-1-3-8-28/h1-5,7-10,12-13,27,31,33H,6,11,14-26H2/t33-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209271
PNG
((S)-2-(1-(naphthalen-2-ylsulfonyl)-N-(1-phenethylp...)
Show SMILES OC(=O)CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H35N3O5S/c34-29(35)22-32(26-15-19-31(20-16-26)18-14-23-7-2-1-3-8-23)30(36)28-11-6-17-33(28)39(37,38)27-13-12-24-9-4-5-10-25(24)21-27/h1-5,7-10,12-13,21,26,28H,6,11,14-20,22H2,(H,34,35)/t28-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209272
PNG
((S)-1-(naphthalen-2-ylsulfonyl)-N-(1-(pyridin-2-yl...)
Show SMILES O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c31-26(28-22-12-16-29(17-13-22)19-23-8-3-4-14-27-23)25-9-5-15-30(25)34(32,33)24-11-10-20-6-1-2-7-21(20)18-24/h1-4,6-8,10-11,14,18,22,25H,5,9,12-13,15-17,19H2,(H,28,31)/t25-/m0/s1
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209249
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(benzylsulfonyl)p...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H31N3O3S/c28-24(25-22-13-16-26(17-14-22)18-20-8-3-1-4-9-20)23-12-7-15-27(23)31(29,30)19-21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2,(H,25,28)/t23-/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
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