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PubMed code 17718722

Compile data set for download or QSAR
Found 30 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))		BDBM81848
PNG
(Bipiperidinyl carboxylic acid amide, 20)
Show SMILES CCCCOc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)cc1
Show InChI InChI=1S/C32H46N6O3/c1-3-4-23-41-29-12-10-27(11-13-29)34-32(40)37-17-14-28(15-18-37)38-16-6-8-26(24-38)31(39)36-21-19-35(20-22-36)30-9-5-7-25(2)33-30/h5,7,9-13,26,28H,3-4,6,8,14-24H2,1-2H3,(H,34,40)
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n/an/a 200n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81834
PNG
(Bipiperidinyl carboxylic acid amide, 7)
Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C26H40ClN5O2/c1-26(2,3)28-25(34)31-13-10-21(11-14-31)32-12-6-7-20(19-32)24(33)30-17-15-29(16-18-30)23-9-5-4-8-22(23)27/h4-5,8-9,20-21H,6-7,10-19H2,1-3H3,(H,28,34)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81830
PNG
(Bipiperidinyl carboxylic acid amide, 3)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2Cl)c(C)c1
Show InChI InChI=1S/C30H40ClN5O3/c1-22-20-25(39-2)9-10-27(22)32-30(38)35-14-11-24(12-15-35)36-13-5-6-23(21-36)29(37)34-18-16-33(17-19-34)28-8-4-3-7-26(28)31/h3-4,7-10,20,23-24H,5-6,11-19,21H2,1-2H3,(H,32,38)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81837
PNG
(Bipiperidinyl carboxylic acid amide, 1)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C28H43N5O4/c1-3-4-20-37-28(36)29-27(35)32-14-11-24(12-15-32)33-13-7-9-23(21-33)26(34)31-18-16-30(17-19-31)25-10-6-5-8-22(25)2/h5-6,8,10,23-24H,3-4,7,9,11-21H2,1-2H3,(H,29,35,36)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81836
PNG
(Bipiperidinyl carboxylic acid amide, 9)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C27H42N6O4/c1-3-4-19-37-27(36)29-26(35)32-13-10-23(11-14-32)33-12-6-8-22(20-33)25(34)31-17-15-30(16-18-31)24-9-5-7-21(2)28-24/h5,7,9,22-23H,3-4,6,8,10-20H2,1-2H3,(H,29,35,36)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81832
PNG
(Bipiperidinyl carboxylic acid amide, 6)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H43N5O2/c1-21-8-5-6-10-24(21)29-16-18-30(19-17-29)25(33)22-9-7-13-32(20-22)23-11-14-31(15-12-23)26(34)28-27(2,3)4/h5-6,8,10,22-23H,7,9,11-20H2,1-4H3,(H,28,34)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81841
PNG
(Bipiperidinyl carboxylic acid amide, 13)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2C)c1
Show InChI InChI=1S/C31H43N5O2/c1-24-7-5-9-26(21-24)22-32-31(38)35-15-12-28(13-16-35)36-14-6-10-27(23-36)30(37)34-19-17-33(18-20-34)29-11-4-3-8-25(29)2/h3-5,7-9,11,21,27-28H,6,10,12-20,22-23H2,1-2H3,(H,32,38)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81842
PNG
(Bipiperidinyl carboxylic acid amide, 14)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2Cl)c1
Show InChI InChI=1S/C30H40ClN5O2/c1-23-6-4-7-24(20-23)21-32-30(38)35-14-11-26(12-15-35)36-13-5-8-25(22-36)29(37)34-18-16-33(17-19-34)28-10-3-2-9-27(28)31/h2-4,6-7,9-10,20,25-26H,5,8,11-19,21-22H2,1H3,(H,32,38)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81852
PNG
(Bipiperidinyl carboxylic acid amide, 24)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H42N6O2/c1-24-7-5-11-28(32-24)33-19-21-34(22-20-33)29(37)26-10-6-16-36(23-26)27-13-17-35(18-14-27)30(38)31-15-12-25-8-3-2-4-9-25/h2-5,7-9,11,26-27H,6,10,12-23H2,1H3,(H,31,38)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81840
PNG
(Bipiperidinyl carboxylic acid amide, 12)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)c1
Show InChI InChI=1S/C30H42N6O2/c1-23-6-3-8-25(20-23)21-31-30(38)35-14-11-27(12-15-35)36-13-5-9-26(22-36)29(37)34-18-16-33(17-19-34)28-10-4-7-24(2)32-28/h3-4,6-8,10,20,26-27H,5,9,11-19,21-22H2,1-2H3,(H,31,38)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81829
PNG
(Bipiperidinyl carboxylic acid amide, 2)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2C)c(C)c1
Show InChI InChI=1S/C31H43N5O3/c1-23-7-4-5-9-29(23)33-17-19-34(20-18-33)30(37)25-8-6-14-36(22-25)26-12-15-35(16-13-26)31(38)32-28-11-10-27(39-3)21-24(28)2/h4-5,7,9-11,21,25-26H,6,8,12-20,22H2,1-3H3,(H,32,38)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81844
PNG
(Bipiperidinyl carboxylic acid amide, 16)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H38N6O2/c1-22-7-5-11-26(29-22)31-17-19-32(20-18-31)27(35)23-8-6-14-34(21-23)25-12-15-33(16-13-25)28(36)30-24-9-3-2-4-10-24/h2-5,7,9-11,23,25H,6,8,12-21H2,1H3,(H,30,36)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81856
PNG
(Bipiperidinyl carboxylic acid amide, 27)
Show SMILES CC(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C25H40N6O2/c1-19(2)26-25(33)30-12-9-22(10-13-30)31-11-5-7-21(18-31)24(32)29-16-14-28(15-17-29)23-8-4-6-20(3)27-23/h4,6,8,19,21-22H,5,7,9-18H2,1-3H3,(H,26,33)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81833
PNG
(Bipiperidinyl carboxylic acid amide, 5)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H42N6O2/c1-20-7-5-9-23(27-20)29-15-17-30(18-16-29)24(33)21-8-6-12-32(19-21)22-10-13-31(14-11-22)25(34)28-26(2,3)4/h5,7,9,21-22H,6,8,10-19H2,1-4H3,(H,28,34)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81850
PNG
(Bipiperidinyl carboxylic acid amide, 22)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccc(C)c(F)c1
Show InChI InChI=1S/C29H39FN6O2/c1-21-8-9-24(19-26(21)30)32-29(38)35-13-10-25(11-14-35)36-12-4-6-23(20-36)28(37)34-17-15-33(16-18-34)27-7-3-5-22(2)31-27/h3,5,7-9,19,23,25H,4,6,10-18,20H2,1-2H3,(H,32,38)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81849
PNG
(Bipiperidinyl carboxylic acid amide, 21)
Show SMILES CC(=O)c1cccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)c1
Show InChI InChI=1S/C30H40N6O3/c1-22-6-3-10-28(31-22)33-16-18-34(19-17-33)29(38)25-8-5-13-36(21-25)27-11-14-35(15-12-27)30(39)32-26-9-4-7-24(20-26)23(2)37/h3-4,6-7,9-10,20,25,27H,5,8,11-19,21H2,1-2H3,(H,32,39)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81851
PNG
(Bipiperidinyl carboxylic acid amide, 23)
Show SMILES COC(=O)c1ccccc1NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C30H40N6O4/c1-22-7-5-11-27(31-22)33-17-19-34(20-18-33)28(37)23-8-6-14-36(21-23)24-12-15-35(16-13-24)30(39)32-26-10-4-3-9-25(26)29(38)40-2/h3-5,7,9-11,23-24H,6,8,12-21H2,1-2H3,(H,32,39)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81838
PNG
(Bipiperidinyl carboxylic acid amide, 10)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C27H40ClN5O4/c1-2-3-19-37-27(36)29-26(35)32-13-10-22(11-14-32)33-12-6-7-21(20-33)25(34)31-17-15-30(16-18-31)24-9-5-4-8-23(24)28/h4-5,8-9,21-22H,2-3,6-7,10-20H2,1H3,(H,29,35,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81855
PNG
(Bipiperidinyl carboxylic acid amide, 26)
Show SMILES CCOC(=O)CCCCCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C30H48N6O4/c1-3-40-28(37)12-5-4-6-15-31-30(39)35-17-13-26(14-18-35)36-16-8-10-25(23-36)29(38)34-21-19-33(20-22-34)27-11-7-9-24(2)32-27/h7,9,11,25-26H,3-6,8,10,12-23H2,1-2H3,(H,31,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81857
PNG
(Bipiperidinyl carboxylic acid amide, 28)
Show SMILES CCCCCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C27H44N6O2/c1-3-4-5-13-28-27(35)32-15-11-24(12-16-32)33-14-7-9-23(21-33)26(34)31-19-17-30(18-20-31)25-10-6-8-22(2)29-25/h6,8,10,23-24H,3-5,7,9,11-21H2,1-2H3,(H,28,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81831
PNG
(Bipiperidinyl carboxylic acid amide, 4)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccn2)c(C)c1
Show InChI InChI=1S/C29H40N6O3/c1-22-20-25(38-2)8-9-26(22)31-29(37)34-14-10-24(11-15-34)35-13-5-6-23(21-35)28(36)33-18-16-32(17-19-33)27-7-3-4-12-30-27/h3-4,7-9,12,20,23-24H,5-6,10-11,13-19,21H2,1-2H3,(H,31,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81859
PNG
(Bipiperidinyl carboxylic acid amide, 30)
Show SMILES CCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C24H38N6O2/c1-3-25-24(32)29-12-9-21(10-13-29)30-11-5-7-20(18-30)23(31)28-16-14-27(15-17-28)22-8-4-6-19(2)26-22/h4,6,8,20-21H,3,5,7,9-18H2,1-2H3,(H,25,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81839
PNG
(Bipiperidinyl carboxylic acid amide, 11)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C26H40N6O4/c1-2-3-19-36-26(35)28-25(34)31-13-9-22(10-14-31)32-12-6-7-21(20-32)24(33)30-17-15-29(16-18-30)23-8-4-5-11-27-23/h4-5,8,11,21-22H,2-3,6-7,9-10,12-20H2,1H3,(H,28,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81858
PNG
(Bipiperidinyl carboxylic acid amide, 29)
Show SMILES CCCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C25H40N6O2/c1-3-11-26-25(33)30-13-9-22(10-14-30)31-12-5-7-21(19-31)24(32)29-17-15-28(16-18-29)23-8-4-6-20(2)27-23/h4,6,8,21-22H,3,5,7,9-19H2,1-2H3,(H,26,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81835
PNG
(Bipiperidinyl carboxylic acid amide, 8)
Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H40N6O2/c1-25(2,3)27-24(33)30-13-9-21(10-14-30)31-12-6-7-20(19-31)23(32)29-17-15-28(16-18-29)22-8-4-5-11-26-22/h4-5,8,11,20-21H,6-7,9-10,12-19H2,1-3H3,(H,27,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81846
PNG
(Bipiperidinyl carboxylic acid amide, 18)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H37F3N6O2/c1-21-4-2-6-26(33-21)35-16-18-36(19-17-35)27(39)22-5-3-13-38(20-22)25-11-14-37(15-12-25)28(40)34-24-9-7-23(8-10-24)29(30,31)32/h2,4,6-10,22,25H,3,5,11-20H2,1H3,(H,34,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81845
PNG
(Bipiperidinyl carboxylic acid amide, 17)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C29H40N6O2/c1-22-7-3-4-10-26(22)31-29(37)34-15-12-25(13-16-34)35-14-6-9-24(21-35)28(36)33-19-17-32(18-20-33)27-11-5-8-23(2)30-27/h3-5,7-8,10-11,24-25H,6,9,12-21H2,1-2H3,(H,31,37)
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Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81847
PNG
(Bipiperidinyl carboxylic acid amide, 19)
Show SMILES Cc1cc(C)cc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)c1
Show InChI InChI=1S/C30H42N6O2/c1-22-18-23(2)20-26(19-22)32-30(38)35-12-9-27(10-13-35)36-11-5-7-25(21-36)29(37)34-16-14-33(15-17-34)28-8-4-6-24(3)31-28/h4,6,8,18-20,25,27H,5,7,9-17,21H2,1-3H3,(H,32,38)
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Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81843
PNG
(Bipiperidinyl carboxylic acid amide, 15)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C29H40N6O2/c1-23-6-4-7-24(20-23)21-31-29(37)34-14-10-26(11-15-34)35-13-5-8-25(22-35)28(36)33-18-16-32(17-19-33)27-9-2-3-12-30-27/h2-4,6-7,9,12,20,25-26H,5,8,10-11,13-19,21-22H2,1H3,(H,31,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM81854
PNG
(Bipiperidinyl carboxylic acid amide, 25)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NC(C)(C)CC(C)(C)C
Show InChI InChI=1S/C30H50N6O2/c1-23-9-7-11-26(31-23)33-17-19-34(20-18-33)27(37)24-10-8-14-36(21-24)25-12-15-35(16-13-25)28(38)32-30(5,6)22-29(2,3)4/h7,9,11,24-25H,8,10,12-22H2,1-6H3,(H,32,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...

Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%