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49 similar compounds to monomer 50396024

Compile data set for download or QSAR
Wt: 497.6
BDBM50265742
Wt: 467.6
BDBM50243945
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Wt: 485.6
BDBM50243946
Wt: 481.6
BDBM50244083
Wt: 427.5
BDBM50243897
Wt: 453.6
BDBM50244380
Wt: 467.6
BDBM50244381
Wt: 439.5
BDBM50244340
Wt: 414.5
BDBM50300029
Wt: 400.5
BDBM50300030
Wt: 385.5
BDBM50300031
Wt: 387.4
BDBM50300032
Wt: 373.4
BDBM50300033
Wt: 345.4
BDBM50300034
Wt: 485.6
BDBM50300041
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Displayed 1 to 15 (of 49 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 50265742,50243945,50243946,50244083,50243897,50244380,50244381,50244340,50300029,50300030,50300031,50300032,50300033,50300034,50300041   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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2.60n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...


Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant G9a catalytic domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) by isothermal titration ca...


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244340
PNG
(CHEMBL470962 | N-Cyclohexyl-6,7-dimethoxy-2-(4-pyr...)
Show SMILES COc1cc2nc(nc(NC3CCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O2/c1-31-22-16-20-21(17-23(22)32-2)27-25(28-24(20)26-18-8-4-3-5-9-18)30-14-10-19(11-15-30)29-12-6-7-13-29/h16-19H,3-15H2,1-2H3,(H,26,27,28)
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n/an/a 480n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50243897
PNG
(CHEMBL488640 | N-Cycloheptyl-2-[4-(dimethylamino)p...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C24H37N5O2/c1-28(2)18-11-13-29(14-12-18)24-26-20-16-22(31-4)21(30-3)15-19(20)23(27-24)25-17-9-7-5-6-8-10-17/h15-18H,5-14H2,1-4H3,(H,25,26,27)
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n/an/a 730n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPA


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50243945
PNG
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244381
PNG
(CHEMBL529664 | N-Cyclooctyl-6,7-dimethoxy-2-(4-pyr...)
Show SMILES COc1cc2nc(nc(NC3CCCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-4-3-5-7-11-20)32-16-12-21(13-17-32)31-14-8-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 200n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPA


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assay


Bioorg Med Chem 16: 7968-74 (2008)


Article DOI: 10.1016/j.bmc.2008.07.062
BindingDB Entry DOI: 10.7270/Q2QJ7H49
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 200n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assay


Bioorg Med Chem 16: 7968-74 (2008)


Article DOI: 10.1016/j.bmc.2008.07.062
BindingDB Entry DOI: 10.7270/Q2QJ7H49
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [121I]CCL22 from human CCR4 receptor by scintillation proximity assay


Bioorg Med Chem 16: 7968-74 (2008)


Article DOI: 10.1016/j.bmc.2008.07.062
BindingDB Entry DOI: 10.7270/Q2QJ7H49
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of GLP by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300033
PNG
(CHEMBL585180 | N2,N2-diethyl-6,7-dimethoxy-N4-(1-m...)
Show SMILES CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H31N5O2/c1-6-25(7-2)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-8-10-24(3)11-9-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)
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n/an/a 0.910n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300031
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-(piperi...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCC1
Show InChI InChI=1S/C21H31N5O2/c1-25-11-7-15(8-12-25)22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-9-5-4-6-10-26/h13-15H,4-12H2,1-3H3,(H,22,23,24)
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n/an/a 0.510n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 58n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of GLP by Alpha screen assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300030
PNG
(6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300032
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-morphol...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
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n/an/a 1.60n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300029
PNG
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H34N6O2/c1-26-8-5-9-28(13-12-26)22-24-18-15-20(30-4)19(29-3)14-17(18)21(25-22)23-16-6-10-27(2)11-7-16/h14-16H,5-13H2,1-4H3,(H,23,24,25)
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n/an/a 0.230n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300034
PNG
(6,7-Dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C
Show InChI InChI=1S/C18H27N5O2/c1-22(2)18-20-14-11-16(25-5)15(24-4)10-13(14)17(21-18)19-12-6-8-23(3)9-7-12/h10-12H,6-9H2,1-5H3,(H,19,20,21)
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n/an/a 0.900n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50243945
PNG
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50265742
PNG
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
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n/an/a 30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 50n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity PRMT3 by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300033
PNG
(CHEMBL585180 | N2,N2-diethyl-6,7-dimethoxy-N4-(1-m...)
Show SMILES CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H31N5O2/c1-6-25(7-2)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-8-10-24(3)11-9-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)
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n/an/a 6.50E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 5.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 58n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300032
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-morphol...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
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n/an/a 8.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300031
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-(piperi...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCC1
Show InChI InChI=1S/C21H31N5O2/c1-25-11-7-15(8-12-25)22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-9-5-4-6-10-26/h13-15H,4-12H2,1-3H3,(H,22,23,24)
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n/an/a 5.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300029
PNG
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H34N6O2/c1-26-8-5-9-28(13-12-26)22-24-18-15-20(30-4)19(29-3)14-17(18)21(25-22)23-16-6-10-27(2)11-7-16/h14-16H,5-13H2,1-4H3,(H,23,24,25)
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n/an/a 2.30E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300030
PNG
(6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300034
PNG
(6,7-Dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C
Show InChI InChI=1S/C18H27N5O2/c1-22(2)18-20-14-11-16(25-5)15(24-4)10-13(14)17(21-18)19-12-6-8-23(3)9-7-12/h10-12H,6-9H2,1-5H3,(H,19,20,21)
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n/an/a 9.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay


J Med Chem 54: 6139-50 (2011)


Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50243945
PNG
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 73n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPA


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50243897
PNG
(CHEMBL488640 | N-Cycloheptyl-2-[4-(dimethylamino)p...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C24H37N5O2/c1-28(2)18-11-13-29(14-12-18)24-26-20-16-22(31-4)21(30-3)15-19(20)23(27-24)25-17-9-7-5-6-8-10-17/h15-18H,5-14H2,1-4H3,(H,25,26,27)
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n/an/a 260n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244381
PNG
(CHEMBL529664 | N-Cyclooctyl-6,7-dimethoxy-2-(4-pyr...)
Show SMILES COc1cc2nc(nc(NC3CCCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-4-3-5-7-11-20)32-16-12-21(13-17-32)31-14-8-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPA


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244340
PNG
(CHEMBL470962 | N-Cyclohexyl-6,7-dimethoxy-2-(4-pyr...)
Show SMILES COc1cc2nc(nc(NC3CCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O2/c1-31-22-16-20-21(17-23(22)32-2)27-25(28-24(20)26-18-8-4-3-5-9-18)30-14-10-19(11-15-30)29-12-6-7-13-29/h16-19H,3-15H2,1-2H3,(H,26,27,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPA


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244083
PNG
(CHEMBL451783 | N-cycloheptyl-2-(4-(cyclopentyl(met...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N(C)C1CCCC1
Show InChI InChI=1S/C28H43N5O2/c1-32(21-12-8-9-13-21)22-14-16-33(17-15-22)28-30-24-19-26(35-3)25(34-2)18-23(24)27(31-28)29-20-10-6-4-5-7-11-20/h18-22H,4-17H2,1-3H3,(H,29,30,31)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50243946
PNG
(CHEMBL453594 | N-cycloheptyl-2-(4-(4-fluoropiperid...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCC(F)CC1
Show InChI InChI=1S/C27H40FN5O2/c1-34-24-17-22-23(18-25(24)35-2)30-27(31-26(22)29-20-7-5-3-4-6-8-20)33-15-11-21(12-16-33)32-13-9-19(28)10-14-32/h17-21H,3-16H2,1-2H3,(H,29,30,31)
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n/an/a 32n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [121I]CCL22 from human CCR4 receptor by scintillation proximity assay


Bioorg Med Chem 16: 7968-74 (2008)


Article DOI: 10.1016/j.bmc.2008.07.062
BindingDB Entry DOI: 10.7270/Q2QJ7H49
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)
BDBM50265742
PNG
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)
BDBM50243945
PNG
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 39n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50265742
PNG
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
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n/an/a 100n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50243945
PNG
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 140n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 200n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300029
PNG
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H34N6O2/c1-26-8-5-9-28(13-12-26)22-24-18-15-20(30-4)19(29-3)14-17(18)21(25-22)23-16-6-10-27(2)11-7-16/h14-16H,5-13H2,1-4H3,(H,23,24,25)
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n/an/a 0.330n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300030
PNG
(6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)
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n/an/a 0.680n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
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