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PubMed code 15863339

Compile data set for download or QSAR
Found 29 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))		BDBM50166640
PNG
(CHEMBL195298 | N*4*-(2,4-Dichloro-benzyl)-N*2*-(4-...)
Show SMILES CCN(CC)CCCC(C)Nc1nccc(NCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H29Cl2N5/c1-4-27(5-2)12-6-7-15(3)25-20-23-11-10-19(26-20)24-14-16-8-9-17(21)13-18(16)22/h8-11,13,15H,4-7,12,14H2,1-3H3,(H2,23,24,25,26)
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n/an/a 270n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50409956
PNG
(CHEMBL2113068)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C21H29Cl2N3O/c1-4-26(5-2)12-6-7-16(3)25-18-10-11-24-19(14-18)15-27-21-9-8-17(22)13-20(21)23/h8-11,13-14,16H,4-7,12,15H2,1-3H3,(H,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166639
PNG
(CHEMBL194775 | N*4*-[4-(2,4-Dichloro-benzyloxy)-py...)
Show SMILES CCN(CC)CCCC(C)Nc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H28Cl2N4O/c1-4-26(5-2)12-6-7-15(3)24-20-23-11-10-19(25-20)27-14-16-8-9-17(21)13-18(16)22/h8-11,13,15H,4-7,12,14H2,1-3H3,(H,23,24,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166639
PNG
(CHEMBL194775 | N*4*-[4-(2,4-Dichloro-benzyloxy)-py...)
Show SMILES CCN(CC)CCCC(C)Nc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H28Cl2N4O/c1-4-26(5-2)12-6-7-15(3)24-20-23-11-10-19(25-20)27-14-16-8-9-17(21)13-18(16)22/h8-11,13,15H,4-7,12,14H2,1-3H3,(H,23,24,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166654
PNG
(CHEMBL195061 | N*1*,N*1*-Diethyl-N*4*-(2-phenoxyme...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(COc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C24H32N4O/c1-4-28(5-2)17-11-12-19(3)25-24-21-15-9-10-16-22(21)26-23(27-24)18-29-20-13-7-6-8-14-20/h6-10,13-16,19H,4-5,11-12,17-18H2,1-3H3,(H,25,26,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166657
PNG
(CHEMBL365155 | N'-[4-(2,4-Dichloro-benzyloxy)-pyri...)
Show SMILES CN(C)CCCCCNc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C18H24Cl2N4O/c1-24(2)11-5-3-4-9-21-18-22-10-8-17(23-18)25-13-14-6-7-15(19)12-16(14)20/h6-8,10,12H,3-5,9,11,13H2,1-2H3,(H,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166658
PNG
(CHEMBL194930 | N*1*,N*1*-Diethyl-N*4*-(2-phenethyl...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(CCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C25H34N4/c1-4-29(5-2)19-11-12-20(3)26-25-22-15-9-10-16-23(22)27-24(28-25)18-17-21-13-7-6-8-14-21/h6-10,13-16,20H,4-5,11-12,17-19H2,1-3H3,(H,26,27,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166647
PNG
(CHEMBL195751 | N*1*,N*1*-Diethyl-N*4*-(2-naphthale...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H32N4/c1-4-31(5-2)18-10-11-20(3)28-27-24-14-8-9-15-25(24)29-26(30-27)23-17-16-21-12-6-7-13-22(21)19-23/h6-9,12-17,19-20H,4-5,10-11,18H2,1-3H3,(H,28,29,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166662
PNG
(CHEMBL195103 | N*4*-[2-(2,4-Dichloro-benzyloxy)-py...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H28Cl2N4O/c1-4-26(5-2)12-6-7-15(3)24-19-10-11-23-20(25-19)27-14-16-8-9-17(21)13-18(16)22/h8-11,13,15H,4-7,12,14H2,1-3H3,(H,23,24,25)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166642
PNG
(CHEMBL195764 | N'-[4-(2,4-Dichloro-benzyloxy)-pyri...)
Show SMILES CCN(CC)CCCCNc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C19H26Cl2N4O/c1-3-25(4-2)12-6-5-10-22-19-23-11-9-18(24-19)26-14-15-7-8-16(20)13-17(15)21/h7-9,11,13H,3-6,10,12,14H2,1-2H3,(H,22,23,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50409957
PNG
(CHEMBL2113069)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C21H29Cl2N3O/c1-4-26(5-2)12-6-7-16(3)25-17-10-11-24-18(13-17)15-27-19-8-9-20(22)21(23)14-19/h8-11,13-14,16H,4-7,12,15H2,1-3H3,(H,24,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166640
PNG
(CHEMBL195298 | N*4*-(2,4-Dichloro-benzyl)-N*2*-(4-...)
Show SMILES CCN(CC)CCCC(C)Nc1nccc(NCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H29Cl2N5/c1-4-27(5-2)12-6-7-15(3)25-20-23-11-10-19(26-20)24-14-16-8-9-17(21)13-18(16)22/h8-11,13,15H,4-7,12,14H2,1-3H3,(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
Inhibitory concentration in CCR4-transfected murine pre-B L1.2 cells (chemotaxis assay)

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166661
PNG
(CHEMBL195203 | N*1*,N*1*-Diethyl-N*4*-(2-styryl-qu...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C25H32N4/c1-4-29(5-2)19-11-12-20(3)26-25-22-15-9-10-16-23(22)27-24(28-25)18-17-21-13-7-6-8-14-21/h6-10,13-18,20H,4-5,11-12,19H2,1-3H3,(H,26,27,28)/b18-17+
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n/an/a 6.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4; range = 3.6-6.1 uM

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166648
PNG
(CHEMBL195484 | N'-[4-(2,4-Dichloro-benzyloxy)-pyri...)
Show SMILES CCN(CC)CCCNc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C18H24Cl2N4O/c1-3-24(4-2)11-5-9-21-18-22-10-8-17(23-18)25-13-14-6-7-15(19)12-16(14)20/h6-8,10,12H,3-5,9,11,13H2,1-2H3,(H,21,22,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166660
PNG
(CHEMBL372670 | N'-[4-(2,4-Dichloro-benzyloxy)-pyri...)
Show SMILES CCN(CC)CCNc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C17H22Cl2N4O/c1-3-23(4-2)10-9-21-17-20-8-7-16(22-17)24-12-13-5-6-14(18)11-15(13)19/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,21,22)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166659
PNG
(CHEMBL195213 | [4-(2,4-Dichloro-benzyloxy)-pyrimid...)
Show SMILES CC(C)CCCC(C)Nc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C19H25Cl2N3O/c1-13(2)5-4-6-14(3)23-19-22-10-9-18(24-19)25-12-15-7-8-16(20)11-17(15)21/h7-11,13-14H,4-6,12H2,1-3H3,(H,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166644
PNG
(4-(4-Diethylamino-1-methyl-butylamino)-quinazoline...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(nc2ccccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N5O/c1-4-29(5-2)17-11-12-18(3)25-22-20-15-9-10-16-21(20)27-23(28-22)24(30)26-19-13-7-6-8-14-19/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3,(H,26,30)(H,25,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166653
PNG
(CHEMBL195665 | N*4*-(2-Benzyl-quinazolin-4-yl)-N*1...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C24H32N4/c1-4-28(5-2)17-11-12-19(3)25-24-21-15-9-10-16-22(21)26-23(27-24)18-20-13-7-6-8-14-20/h6-10,13-16,19H,4-5,11-12,17-18H2,1-3H3,(H,25,26,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166649
PNG
(CHEMBL372251 | N*1*,N*1*-Diethyl-N*4*-[2-(3-phenyl...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(CCCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C26H36N4/c1-4-30(5-2)20-12-13-21(3)27-26-23-17-9-10-18-24(23)28-25(29-26)19-11-16-22-14-7-6-8-15-22/h6-10,14-15,17-18,21H,4-5,11-13,16,19-20H2,1-3H3,(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50166640
PNG
(CHEMBL195298 | N*4*-(2,4-Dichloro-benzyl)-N*2*-(4-...)
Show SMILES CCN(CC)CCCC(C)Nc1nccc(NCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H29Cl2N5/c1-4-27(5-2)12-6-7-15(3)25-20-23-11-10-19(26-20)24-14-16-8-9-17(21)13-18(16)22/h8-11,13,15H,4-7,12,14H2,1-3H3,(H2,23,24,25,26)
PDB

KEGG

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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against C-C chemokine receptor type 2

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50409958
PNG
(CHEMBL2113066)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2ccccc2Cl)c1
Show InChI InChI=1S/C21H30ClN3O/c1-4-25(5-2)14-8-9-17(3)24-18-12-13-23-19(15-18)16-26-21-11-7-6-10-20(21)22/h6-7,10-13,15,17H,4-5,8-9,14,16H2,1-3H3,(H,23,24)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50409959
PNG
(CHEMBL2113075)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2ccc(F)cc2)c1
Show InChI InChI=1S/C21H30FN3O/c1-4-25(5-2)14-6-7-17(3)24-19-12-13-23-20(15-19)16-26-21-10-8-18(22)9-11-21/h8-13,15,17H,4-7,14,16H2,1-3H3,(H,23,24)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50409960
PNG
(CHEMBL2113072)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H30ClN3O/c1-4-25(5-2)14-6-7-17(3)24-19-12-13-23-20(15-19)16-26-21-10-8-18(22)9-11-21/h8-13,15,17H,4-7,14,16H2,1-3H3,(H,23,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166650
PNG
(CHEMBL195698 | N*1*,N*1*-Diethyl-N*4*-(2-phenyl-qu...)
Show SMILES CCN(CC)CCCC(C)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H30N4/c1-4-27(5-2)17-11-12-18(3)24-23-20-15-9-10-16-21(20)25-22(26-23)19-13-7-6-8-14-19/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3,(H,24,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166646
PNG
(CHEMBL195893 | N*4*-[2-(3,5-Dichloro-phenoxymethyl...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2cc(Cl)cc(Cl)c2)n1
Show InChI InChI=1S/C20H28Cl2N4O/c1-4-26(5-2)10-6-7-15(3)24-19-8-9-23-20(25-19)14-27-18-12-16(21)11-17(22)13-18/h8-9,11-13,15H,4-7,10,14H2,1-3H3,(H,23,24,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166664
PNG
(CHEMBL191915 | N*4*-[2-(3-Chloro-phenoxymethyl)-py...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2cccc(Cl)c2)n1
Show InChI InChI=1S/C20H29ClN4O/c1-4-25(5-2)13-7-8-16(3)23-19-11-12-22-20(24-19)15-26-18-10-6-9-17(21)14-18/h6,9-12,14,16H,4-5,7-8,13,15H2,1-3H3,(H,22,23,24)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166641
PNG
(CHEMBL195119 | N*1*,N*1*-Diethyl-N*4*-(2-phenoxyme...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2ccccc2)n1
Show InChI InChI=1S/C20H30N4O/c1-4-24(5-2)15-9-10-17(3)22-19-13-14-21-20(23-19)16-25-18-11-7-6-8-12-18/h6-8,11-14,17H,4-5,9-10,15-16H2,1-3H3,(H,21,22,23)
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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
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166663
PNG
(CHEMBL193932 | N*1*,N*1*-Diethyl-N*4*-[2-(3-methox...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2cccc(OC)c2)n1
Show InChI InChI=1S/C21H32N4O2/c1-5-25(6-2)14-8-9-17(3)23-20-12-13-22-21(24-20)16-27-19-11-7-10-18(15-19)26-4/h7,10-13,15,17H,5-6,8-9,14,16H2,1-4H3,(H,22,23,24)
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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
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50166645
PNG
(CHEMBL278962 | N*4*-[2-(2,4-Dimethoxy-phenoxymethy...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc(COc2ccc(OC)cc2OC)n1
Show InChI InChI=1S/C22H34N4O3/c1-6-26(7-2)14-8-9-17(3)24-21-12-13-23-22(25-21)16-29-19-11-10-18(27-4)15-20(19)28-5/h10-13,15,17H,6-9,14,16H2,1-5H3,(H,23,24,25)
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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
Inhibitory concentration against human C-C chemokine receptor type 4

Bioorg Med Chem Lett 15: 2669-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.084
BindingDB Entry DOI: 10.7270/Q2F76C2S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%