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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50031100   
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))
BDBM50307035
PNG
(5,7-Dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
Show InChI InChI=1S/C15H18N2O4/c1-9-13-11(19)7-10(18)8-12(13)21-15(20)14(9)17-5-3-16(2)4-6-17/h7-8,18-19H,3-6H2,1-2H3
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n/an/a 21.2n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307033
PNG
(4-(5,7-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N...)
Show SMILES Cc1c(N2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C22H20F3N3O6/c1-12-18-16(30)10-14(29)11-17(18)33-20(31)19(12)27-6-8-28(9-7-27)21(32)26-13-2-4-15(5-3-13)34-22(23,24)25/h2-5,10-11,29-30H,6-9H2,1H3,(H,26,32)
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n/an/a 110n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307036
PNG
(3-(4-Ethylpiperazin-1-yl)-5,7-dihydroxy-4-methyl-2...)
Show SMILES CCN1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
Show InChI InChI=1S/C16H20N2O4/c1-3-17-4-6-18(7-5-17)15-10(2)14-12(20)8-11(19)9-13(14)22-16(15)21/h8-9,19-20H,3-7H2,1-2H3
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n/an/a 131n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307054
PNG
(4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-(piperidi...)
Show SMILES CN1CCN(CC1)c1c(C)c2ccc(OCCN3CCCCC3)cc2oc1=O
Show InChI InChI=1S/C22H31N3O3/c1-17-19-7-6-18(27-15-14-24-8-4-3-5-9-24)16-20(19)28-22(26)21(17)25-12-10-23(2)11-13-25/h6-7,16H,3-5,8-15H2,1-2H3
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n/an/a 196n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307045
PNG
(5-Hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-...)
Show SMILES COc1cc(O)c2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
Show InChI InChI=1S/C16H20N2O4/c1-10-14-12(19)8-11(21-3)9-13(14)22-16(20)15(10)18-6-4-17(2)5-7-18/h8-9,19H,4-7H2,1-3H3
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n/an/a 389n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307044
PNG
(8-Methyl-7-(4-methylpiperazin-1-yl)-6H-[1,3]dioxol...)
Show SMILES CN1CCN(CC1)c1c(C)c2cc3OCOc3cc2oc1=O
Show InChI InChI=1S/C16H18N2O4/c1-10-11-7-13-14(21-9-20-13)8-12(11)22-16(19)15(10)18-5-3-17(2)4-6-18/h7-8H,3-6,9H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307046
PNG
(5,7-Dimethoxy-4-methyl-3-(4-methylpiperazin-1-yl)-...)
Show SMILES COc1cc(OC)c2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
Show InChI InChI=1S/C17H22N2O4/c1-11-15-13(22-4)9-12(21-3)10-14(15)23-17(20)16(11)19-7-5-18(2)6-8-19/h9-10H,5-8H2,1-4H3
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n/an/a 478n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307052
PNG
(4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-(thiophen...)
Show SMILES CN1CCN(CC1)c1c(C)c2ccc(OCCc3cccs3)cc2oc1=O
Show InChI InChI=1S/C21H24N2O3S/c1-15-18-6-5-16(25-12-7-17-4-3-13-27-17)14-19(18)26-21(24)20(15)23-10-8-22(2)9-11-23/h3-6,13-14H,7-12H2,1-2H3
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n/an/a 527n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307031
PNG
(4-(5,7-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N...)
Show SMILES CCCCCCCNC(=O)N1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
Show InChI InChI=1S/C22H31N3O5/c1-3-4-5-6-7-8-23-22(29)25-11-9-24(10-12-25)20-15(2)19-17(27)13-16(26)14-18(19)30-21(20)28/h13-14,26-27H,3-12H2,1-2H3,(H,23,29)
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n/an/a 539n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307053
PNG
(4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-morpholin...)
Show SMILES CN1CCN(CC1)c1c(C)c2ccc(OCCN3CCOCC3)cc2oc1=O
Show InChI InChI=1S/C21H29N3O4/c1-16-18-4-3-17(27-14-11-23-9-12-26-13-10-23)15-19(18)28-21(25)20(16)24-7-5-22(2)6-8-24/h3-4,15H,5-14H2,1-2H3
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n/an/a 671n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307042
PNG
(7-Hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-c...)
Show SMILES CN1CCN(CC1)c1c(C)c2ccc(O)cc2oc1=O
Show InChI InChI=1S/C15H18N2O3/c1-10-12-4-3-11(18)9-13(12)20-15(19)14(10)17-7-5-16(2)6-8-17/h3-4,9,18H,5-8H2,1-2H3
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n/an/a 775n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307043
PNG
(5-Hydroxy-4,7-dimethyl-3-(4-methylpiperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)c1c(C)c2c(O)cc(C)cc2oc1=O
Show InChI InChI=1S/C16H20N2O3/c1-10-8-12(19)14-11(2)15(16(20)21-13(14)9-10)18-6-4-17(3)5-7-18/h8-9,19H,4-7H2,1-3H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307030
PNG
(4-(5,7-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCN(CC2)c2c(C)c3c(O)cc(O)cc3oc2=O)cc1
Show InChI InChI=1S/C24H27N3O5/c1-14(2)16-4-6-17(7-5-16)25-24(31)27-10-8-26(9-11-27)22-15(3)21-19(29)12-18(28)13-20(21)32-23(22)30/h4-7,12-14,28-29H,8-11H2,1-3H3,(H,25,31)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307055
PNG
(4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-(pyrrolid...)
Show SMILES CN1CCN(CC1)c1c(C)c2ccc(OCCN3CCCC3)cc2oc1=O
Show InChI InChI=1S/C21H29N3O3/c1-16-18-6-5-17(26-14-13-23-7-3-4-8-23)15-19(18)27-21(25)20(16)24-11-9-22(2)10-12-24/h5-6,15H,3-4,7-14H2,1-2H3
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n/an/a 1.51E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307024
PNG
(3-(4-cinnamoylpiperazin-1-yl)-5,7-dihydroxy-4-meth...)
Show SMILES Cc1c(N2CCN(CC2)C(=O)\C=C\c2ccccc2)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C23H22N2O5/c1-15-21-18(27)13-17(26)14-19(21)30-23(29)22(15)25-11-9-24(10-12-25)20(28)8-7-16-5-3-2-4-6-16/h2-8,13-14,26-27H,9-12H2,1H3/b8-7+
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n/an/a 1.57E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307034
PNG
(CHEMBL599996 | N-Benzyl-4-(5,7-dihydroxy-4-methyl-...)
Show SMILES Cc1c(N2CCN(CC2)C(=O)NCc2ccccc2)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C22H23N3O5/c1-14-19-17(27)11-16(26)12-18(19)30-21(28)20(14)24-7-9-25(10-8-24)22(29)23-13-15-5-3-2-4-6-15/h2-6,11-12,26-27H,7-10,13H2,1H3,(H,23,29)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307049
PNG
(7-Ethoxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-ch...)
Show SMILES CCOc1ccc2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
Show InChI InChI=1S/C17H22N2O3/c1-4-21-13-5-6-14-12(2)16(17(20)22-15(14)11-13)19-9-7-18(3)8-10-19/h5-6,11H,4,7-10H2,1-3H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307029
PNG
(CHEMBL601217 | N-(4-(4-(5,7-Dihydroxy-4-methyl-2-o...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
Show InChI InChI=1S/C22H23N3O7S/c1-13-20-18(28)11-16(27)12-19(20)32-22(29)21(13)24-7-9-25(10-8-24)33(30,31)17-5-3-15(4-6-17)23-14(2)26/h3-6,11-12,27-28H,7-10H2,1-2H3,(H,23,26)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307050
PNG
(7-(4-Ethylcyclohexyloxy)-4-methyl-3-(4-methylpiper...)
Show SMILES CCC1CCC(CC1)Oc1ccc2c(C)c(N3CCN(C)CC3)c(=O)oc2c1 |(-9.45,3.17,;-9.45,1.63,;-8.12,.86,;-6.78,1.62,;-5.45,.85,;-5.45,-.7,;-6.79,-1.47,;-8.13,-.69,;-4.11,-1.46,;-2.78,-.69,;-2.78,.85,;-1.44,1.62,;-.12,.85,;1.22,1.62,;1.22,3.16,;2.55,.85,;3.89,1.63,;5.21,.85,;6.54,1.62,;6.55,3.16,;7.88,3.93,;5.21,3.93,;3.87,3.16,;2.56,-.69,;3.9,-1.47,;1.22,-1.46,;-.12,-.68,;-1.44,-1.46,)|
Show InChI InChI=1S/C23H32N2O3/c1-4-17-5-7-18(8-6-17)27-19-9-10-20-16(2)22(23(26)28-21(20)15-19)25-13-11-24(3)12-14-25/h9-10,15,17-18H,4-8,11-14H2,1-3H3
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n/an/a 3.12E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307025
PNG
(3-(4-Acryloylpiperazin-1-yl)-5,7-dihydroxy-4-methy...)
Show SMILES Cc1c(N2CCN(CC2)C(=O)C=C)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C17H18N2O5/c1-3-14(22)18-4-6-19(7-5-18)16-10(2)15-12(21)8-11(20)9-13(15)24-17(16)23/h3,8-9,20-21H,1,4-7H2,2H3
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n/an/a 4.24E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307027
PNG
(3-(4-benzoylpiperazin-1-yl)-5,7-dihydroxy-4-methyl...)
Show SMILES Cc1c(N2CCN(CC2)C(=O)c2ccccc2)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C21H20N2O5/c1-13-18-16(25)11-15(24)12-17(18)28-21(27)19(13)22-7-9-23(10-8-22)20(26)14-5-3-2-4-6-14/h2-6,11-12,24-25H,7-10H2,1H3
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n/an/a 4.36E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307056
PNG
(5,7-Dihydroxy-4-methyl-3-(piperazin-1-yl)-2H-chrom...)
Show SMILES Cc1c(N2CCNCC2)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C14H16N2O4/c1-8-12-10(18)6-9(17)7-11(12)20-14(19)13(8)16-4-2-15-3-5-16/h6-7,15,17-18H,2-5H2,1H3
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n/an/a 4.36E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307047
PNG
(7-(Dimethylamino)-4-methyl-3-(4-methylpiperazin-1-...)
Show SMILES CN(C)c1ccc2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
Show InChI InChI=1S/C17H23N3O2/c1-12-14-6-5-13(18(2)3)11-15(14)22-17(21)16(12)20-9-7-19(4)8-10-20/h5-6,11H,7-10H2,1-4H3
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n/an/a 4.76E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307048
PNG
(7-Methoxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-c...)
Show SMILES COc1ccc2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
Show InChI InChI=1S/C16H20N2O3/c1-11-13-5-4-12(20-3)10-14(13)21-16(19)15(11)18-8-6-17(2)7-9-18/h4-5,10H,6-9H2,1-3H3
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n/an/a 5.21E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307032
PNG
(4-(5,7-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N...)
Show SMILES Cc1c(N2CCN(CC2)C(=O)Nc2ccccc2Oc2ccccc2)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C27H25N3O6/c1-17-24-21(32)15-18(31)16-23(24)36-26(33)25(17)29-11-13-30(14-12-29)27(34)28-20-9-5-6-10-22(20)35-19-7-3-2-4-8-19/h2-10,15-16,31-32H,11-14H2,1H3,(H,28,34)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307028
PNG
(5,7-Dihydroxy-4-methyl-3-(4-(phenylsulfonyl)pipera...)
Show SMILES Cc1c(N2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C20H20N2O6S/c1-13-18-16(24)11-14(23)12-17(18)28-20(25)19(13)21-7-9-22(10-8-21)29(26,27)15-5-3-2-4-6-15/h2-6,11-12,23-24H,7-10H2,1H3
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n/an/a 6.04E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307051
PNG
(7-(4-Methoxybenzyloxy)-4-methyl-3-(4-methylpiperaz...)
Show SMILES COc1ccc(COc2ccc3c(C)c(N4CCN(C)CC4)c(=O)oc3c2)cc1
Show InChI InChI=1S/C23H26N2O4/c1-16-20-9-8-19(28-15-17-4-6-18(27-3)7-5-17)14-21(20)29-23(26)22(16)25-12-10-24(2)11-13-25/h4-9,14H,10-13,15H2,1-3H3
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n/an/a 7.32E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307026
PNG
(3-(4-(2-Chloroacetyl)piperazin-1-yl)-5,7-dihydroxy...)
Show SMILES Cc1c(N2CCN(CC2)C(=O)CCl)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C16H17ClN2O5/c1-9-14-11(21)6-10(20)7-12(14)24-16(23)15(9)19-4-2-18(3-5-19)13(22)8-17/h6-7,20-21H,2-5,8H2,1H3
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n/an/a 8.58E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307041
PNG
(3-(4-(2-Ethylbutyl)piperazin-1-yl)-5,7-dihydroxy-4...)
Show SMILES CCC(CC)CN1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
Show InChI InChI=1S/C20H28N2O4/c1-4-14(5-2)12-21-6-8-22(9-7-21)19-13(3)18-16(24)10-15(23)11-17(18)26-20(19)25/h10-11,14,23-24H,4-9,12H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307038
PNG
(5,7-Dihydroxy-3-(4-(2-methoxyphenyl)piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
Show InChI InChI=1S/C21H22N2O5/c1-13-19-16(25)11-14(24)12-18(19)28-21(26)20(13)23-9-7-22(8-10-23)15-5-3-4-6-17(15)27-2/h3-6,11-12,24-25H,7-10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307037
PNG
(5,7-Dihydroxy-4-methyl-3-(4-(3-(trifluoromethyl)ph...)
Show SMILES Cc1c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C21H19F3N2O4/c1-12-18-16(28)10-15(27)11-17(18)30-20(29)19(12)26-7-5-25(6-8-26)14-4-2-3-13(9-14)21(22,23)24/h2-4,9-11,27-28H,5-8H2,1H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307040
PNG
(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)-5,7-dihyd...)
Show SMILES Cc1cccc(N2CCN(CC2)c2c(C)c3c(O)cc(O)cc3oc2=O)c1C
Show InChI InChI=1S/C22H24N2O4/c1-13-5-4-6-17(14(13)2)23-7-9-24(10-8-23)21-15(3)20-18(26)11-16(25)12-19(20)28-22(21)27/h4-6,11-12,25-26H,7-10H2,1-3H3
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n/an/a 3.13E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307039
PNG
(3-(4-(4-Fluorophenyl)piperazin-1-yl)-5,7-dihydroxy...)
Show SMILES Cc1c(N2CCN(CC2)c2ccc(F)cc2)c(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C20H19FN2O4/c1-12-18-16(25)10-15(24)11-17(18)27-20(26)19(12)23-8-6-22(7-9-23)14-4-2-13(21)3-5-14/h2-5,10-11,24-25H,6-9H2,1H3
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n/an/a 5.85E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50307057
PNG
(2-amino-N-((2S,3R)-1-(2,6-dioxopiperidin-3-ylamino...)
Show SMILES CCC(C)[C@H](NC(=O)c1ccccc1N)C(=O)NC1CCC(=O)NC1=O |r|
Show InChI InChI=1S/C18H24N4O4/c1-3-10(2)15(22-16(24)11-6-4-5-7-12(11)19)18(26)20-13-8-9-14(23)21-17(13)25/h4-7,10,13,15H,3,8-9,19H2,1-2H3,(H,20,26)(H,22,24)(H,21,23,25)/t10?,13?,15-/m0/s1
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n/an/a 8.36E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


J Med Chem 53: 1741-54 (2010)


Article DOI: 10.1021/jm901652p
BindingDB Entry DOI: 10.7270/Q2Q81D6X
More data for this
Ligand-Target Pair