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PubMed code 17098428

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198429
PNG
((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1
Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CEMS529 cells assessed as effect on calcium mobilization

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198429
PNG
((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1
Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MDC-induced chemotaxis in L1.2 cells expressing CCR4

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198429
PNG
((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1
Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50175665
PNG
((R)-(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)...)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1
Show InChI InChI=1S/C21H26Cl2N6O/c22-16-5-4-15(17(23)13-16)14-26-19-6-8-25-21(27-19)29-11-9-28(10-12-29)20(30)18-3-1-2-7-24-18/h4-6,8,13,18,24H,1-3,7,9-12,14H2,(H,25,26,27)/t18-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198423
PNG
((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCN2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2N7O/c24-16-6-5-15(18(25)13-16)14-28-21-17-3-1-8-27-20(17)29-23(30-21)32-11-9-31(10-12-32)22(33)19-4-2-7-26-19/h1,3,5-6,8,13,19,26H,2,4,7,9-12,14H2,(H,27,28,29,30)/t19-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198433
PNG
(CHEMBL397028 | N4-(2,4-dichlorobenzyl)-N2-(5-(diet...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2cccnc2n1 |w:8.8|
Show InChI InChI=1S/C23H30Cl2N6/c1-4-31(5-2)13-7-8-16(3)28-23-29-21-19(9-6-12-26-21)22(30-23)27-15-17-10-11-18(24)14-20(17)25/h6,9-12,14,16H,4-5,7-8,13,15H2,1-3H3,(H2,26,27,28,29,30)
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198425
PNG
(1-(2,4-dichlorobenzyl)-N-(5-(diethylamino)pentan-2...)
Show SMILES CCN(CC)CCCC(C)Nc1ccc2cnn(Cc3ccc(Cl)cc3Cl)c2n1 |w:8.8|
Show InChI InChI=1S/C22H29Cl2N5/c1-4-28(5-2)12-6-7-16(3)26-21-11-9-17-14-25-29(22(17)27-21)15-18-8-10-19(23)13-20(18)24/h8-11,13-14,16H,4-7,12,15H2,1-3H3,(H,26,27)
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198426
PNG
(CHEMBL233047 | N4-(2,4-dichlorobenzyl)-N2-(4-(diet...)
Show SMILES CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1 |w:5.5|
Show InChI InChI=1S/C20H29Cl2N5/c1-4-27(5-2)15(3)7-6-11-23-20-24-12-10-19(26-20)25-14-16-8-9-17(21)13-18(16)22/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H2,23,24,25,26)
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50198426
PNG
(CHEMBL233047 | N4-(2,4-dichlorobenzyl)-N2-(4-(diet...)
Show SMILES CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1 |w:5.5|
Show InChI InChI=1S/C20H29Cl2N5/c1-4-27(5-2)15(3)7-6-11-23-20-24-12-10-19(26-20)25-14-16-8-9-17(21)13-18(16)22/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H2,23,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

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n/an/a 300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hERG

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198427
PNG
(CHEMBL233045 | N4-(2,4-dichlorobenzyl)-N2-(5-(diet...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2ccccc2n1 |w:8.8|
Show InChI InChI=1S/C24H31Cl2N5/c1-4-31(5-2)14-8-9-17(3)28-24-29-22-11-7-6-10-20(22)23(30-24)27-16-18-12-13-19(25)15-21(18)26/h6-7,10-13,15,17H,4-5,8-9,14,16H2,1-3H3,(H2,27,28,29,30)
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n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198426
PNG
(CHEMBL233047 | N4-(2,4-dichlorobenzyl)-N2-(4-(diet...)
Show SMILES CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1 |w:5.5|
Show InChI InChI=1S/C20H29Cl2N5/c1-4-27(5-2)15(3)7-6-11-23-20-24-12-10-19(26-20)25-14-16-8-9-17(21)13-18(16)22/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H2,23,24,25,26)
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n/an/a 800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CEMS529 cells assessed as effect on calcium mobilization

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198430
PNG
(9-(2,4-dichlorobenzyl)-N-(5-(diethylamino)pentan-2...)
Show SMILES CCN(CC)CCCC(C)Nc1ncc2ncn(Cc3ccc(Cl)cc3Cl)c2n1 |w:8.8|
Show InChI InChI=1S/C21H28Cl2N6/c1-4-28(5-2)10-6-7-15(3)26-21-24-12-19-20(27-21)29(14-25-19)13-16-8-9-17(22)11-18(16)23/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,24,26,27)
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n/an/a 820n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198436
PNG
(7-(2,4-dichlorobenzyl)-N-(5-(diethylamino)pentan-2...)
Show SMILES CCN(CC)CCCC(C)Nc1ncc2n(Cc3ccc(Cl)cc3Cl)cnc2n1 |w:8.8|
Show InChI InChI=1S/C21H28Cl2N6/c1-4-28(5-2)10-6-7-15(3)26-21-24-12-19-20(27-21)25-14-29(19)13-16-8-9-17(22)11-18(16)23/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,24,26,27)
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n/an/a 830n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198428
PNG
(CHEMBL396786 | N6-(2,4-dichlorobenzyl)-N2-(5-(diet...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2n(CC)cnc2n1 |w:8.8|
Show InChI InChI=1S/C23H33Cl2N7/c1-5-31(6-2)12-8-9-16(4)28-23-29-21(20-22(30-23)27-15-32(20)7-3)26-14-17-10-11-18(24)13-19(17)25/h10-11,13,15-16H,5-9,12,14H2,1-4H3,(H2,26,28,29,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198431
PNG
(CHEMBL232841 | N2-(2,4-dichlorobenzyl)-N4-(5-(diet...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)nc2ccccc12 |w:8.8|
Show InChI InChI=1S/C24H31Cl2N5/c1-4-31(5-2)14-8-9-17(3)28-23-20-10-6-7-11-22(20)29-24(30-23)27-16-18-12-13-19(25)15-21(18)26/h6-7,10-13,15,17H,4-5,8-9,14,16H2,1-3H3,(H2,27,28,29,30)
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n/an/a 1.91E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198435
PNG
(CHEMBL232639 | N2-(2,4-dichlorobenzyl)-N6-(5-(diet...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)nc2nc[nH]c12
Show InChI InChI=1S/C21H29Cl2N7/c1-4-30(5-2)10-6-7-14(3)27-20-18-19(26-13-25-18)28-21(29-20)24-12-15-8-9-16(22)11-17(15)23/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H3,24,25,26,27,28,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198434
PNG
(CHEMBL232641 | N2-(2,4-dichlorobenzyl)-N6-(5-(diet...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)nc2ncn(CC)c12 |w:8.8|
Show InChI InChI=1S/C23H33Cl2N7/c1-5-31(6-2)12-8-9-16(4)28-22-20-21(27-15-32(20)7-3)29-23(30-22)26-14-17-10-11-18(24)13-19(17)25/h10-11,13,15-16H,5-9,12,14H2,1-4H3,(H2,26,28,29,30)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198424
PNG
(CHEMBL233261 | N2-(2,4-dichlorobenzyl)-N4-(5-(diet...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(NC)nc(NCc2ccc(Cl)cc2Cl)n1 |w:8.8|
Show InChI InChI=1S/C20H31Cl2N7/c1-5-29(6-2)11-7-8-14(3)25-20-27-18(23-4)26-19(28-20)24-13-15-9-10-16(21)12-17(15)22/h9-10,12,14H,5-8,11,13H2,1-4H3,(H3,23,24,25,26,27,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198432
PNG
(CHEMBL232640 | N6-(2,4-dichlorobenzyl)-N2-(5-(diet...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2[nH]cnc2n1
Show InChI InChI=1S/C21H29Cl2N7/c1-4-30(5-2)10-6-7-14(3)27-21-28-19(18-20(29-21)26-13-25-18)24-12-15-8-9-16(22)11-17(15)23/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H3,24,25,26,27,28,29)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50198426
PNG
(CHEMBL233047 | N4-(2,4-dichlorobenzyl)-N2-(4-(diet...)
Show SMILES CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1 |w:5.5|
Show InChI InChI=1S/C20H29Cl2N5/c1-4-27(5-2)15(3)7-6-11-23-20-24-12-10-19(26-20)25-14-16-8-9-17(21)13-18(16)22/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H2,23,24,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MDC-induced chemotaxis in L1.2 cells expressing CCR4

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50198429
PNG
((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1
Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m0/s1
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hERG

Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%