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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50030769   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCH1R expressed on CHOK1 cell membrane


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301089
PNG
(1-(4-((dipropylamino)methyl)phenethyl)-4-(4-fluoro...)
Show SMILES CCCN(CCC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C27H33FN2O2/c1-3-15-29(16-4-2)20-23-7-5-22(6-8-23)13-17-30-18-14-26(19-27(30)31)32-21-24-9-11-25(28)12-10-24/h5-12,14,18-19H,3-4,13,15-17,20-21H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301094
PNG
(4-(4-fluorobenzyloxy)-1-(4-((methyl(propyl)amino)m...)
Show SMILES CCCN(C)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C25H29FN2O2/c1-3-14-27(2)18-21-6-4-20(5-7-21)12-15-28-16-13-24(17-25(28)29)30-19-22-8-10-23(26)11-9-22/h4-11,13,16-17H,3,12,14-15,18-19H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301092
PNG
(1-(4-((cyclopentyl(propyl)amino)methyl)phenethyl)-...)
Show SMILES CCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C1CCCC1
Show InChI InChI=1S/C29H35FN2O2/c1-2-17-32(27-5-3-4-6-27)21-24-9-7-23(8-10-24)15-18-31-19-16-28(20-29(31)33)34-22-25-11-13-26(30)14-12-25/h7-14,16,19-20,27H,2-6,15,17-18,21-22H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301093
PNG
(1-(4-((ethyl(propyl)amino)methyl)phenethyl)-4-(4-f...)
Show SMILES CCCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C26H31FN2O2/c1-3-15-28(4-2)19-22-7-5-21(6-8-22)13-16-29-17-14-25(18-26(29)30)31-20-23-9-11-24(27)12-10-23/h5-12,14,17-18H,3-4,13,15-16,19-20H2,1-2H3
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n/an/a 4.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301091
PNG
(4-(4-fluorobenzyloxy)-1-(4-((isobutyl(propyl)amino...)
Show SMILES CCCN(CC(C)C)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C28H35FN2O2/c1-4-15-30(19-22(2)3)20-24-7-5-23(6-8-24)13-16-31-17-14-27(18-28(31)32)33-21-25-9-11-26(29)12-10-25/h5-12,14,17-18,22H,4,13,15-16,19-21H2,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301086
PNG
(4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-ylmethyl)...)
Show SMILES Fc1ccc(COc2ccn(CCc3ccc(CN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H27FN2O2/c26-23-9-7-22(8-10-23)19-30-24-12-16-28(25(29)17-24)15-11-20-3-5-21(6-4-20)18-27-13-1-2-14-27/h3-10,12,16-17H,1-2,11,13-15,18-19H2
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301090
PNG
(4-(4-fluorobenzyloxy)-1-(4-((isopropyl(propyl)amin...)
Show SMILES CCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C(C)C
Show InChI InChI=1S/C27H33FN2O2/c1-4-15-30(21(2)3)19-23-7-5-22(6-8-23)13-16-29-17-14-26(18-27(29)31)32-20-24-9-11-25(28)12-10-24/h5-12,14,17-18,21H,4,13,15-16,19-20H2,1-3H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301096
PNG
(4-(4-fluorobenzyloxy)-1-(4-(((2-methoxyethyl)(prop...)
Show SMILES CCCN(CCOC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C27H33FN2O3/c1-3-14-29(17-18-32-2)20-23-6-4-22(5-7-23)12-15-30-16-13-26(19-27(30)31)33-21-24-8-10-25(28)11-9-24/h4-11,13,16,19H,3,12,14-15,17-18,20-21H2,1-2H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 5.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301088
PNG
(1-(4-((diethylamino)methyl)phenethyl)-4-(4-fluorob...)
Show SMILES CCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C25H29FN2O2/c1-3-27(4-2)18-21-7-5-20(6-8-21)13-15-28-16-14-24(17-25(28)29)30-19-22-9-11-23(26)12-10-22/h5-12,14,16-17H,3-4,13,15,18-19H2,1-2H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301097
PNG
(4-(4-fluorobenzyloxy)-1-(4-(((2-fluoroethyl)(propy...)
Show SMILES CCCN(CCF)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C26H30F2N2O2/c1-2-14-29(17-13-27)19-22-5-3-21(4-6-22)11-15-30-16-12-25(18-26(30)31)32-20-23-7-9-24(28)10-8-23/h3-10,12,16,18H,2,11,13-15,17,19-20H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301099
PNG
(4-(4-fluorobenzyloxy)-1-(2-(6-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cn1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-16-21-8-5-18(15-26-21)9-12-27-13-10-22(14-23(27)28)29-17-19-3-6-20(24)7-4-19/h3-8,10,13-15,25H,2,9,11-12,16-17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301083
PNG
(4-(4-fluorobenzyloxy)-1-(3-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(Cc3cccc(OCCN4CCCC4)c3)c(=O)c2)cc1
Show InChI InChI=1S/C25H27FN2O3/c26-22-8-6-20(7-9-22)19-31-24-10-13-28(25(29)17-24)18-21-4-3-5-23(16-21)30-15-14-27-11-1-2-12-27/h3-10,13,16-17H,1-2,11-12,14-15,18-19H2
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301084
PNG
(4-(4-fluorobenzyloxy)-1-(3-(3-(pyrrolidin-1-yl)pro...)
Show SMILES Fc1ccc(COc2ccn(Cc3cccc(OCCCN4CCCC4)c3)c(=O)c2)cc1
Show InChI InChI=1S/C26H29FN2O3/c27-23-9-7-21(8-10-23)20-32-25-11-15-29(26(30)18-25)19-22-5-3-6-24(17-22)31-16-4-14-28-12-1-2-13-28/h3,5-11,15,17-18H,1-2,4,12-14,16,19-20H2
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301100
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)be...)
Show SMILES CCCNCc1ccc(COn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C23H25FN2O3/c1-2-12-25-15-18-3-5-20(6-4-18)17-29-26-13-11-22(14-23(26)27)28-16-19-7-9-21(24)10-8-19/h3-11,13-14,25H,2,12,15-17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301085
PNG
(4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-ylmethyl)...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(CN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C23H23FN2O2/c24-20-7-3-19(4-8-20)17-28-22-11-14-26(23(27)15-22)21-9-5-18(6-10-21)16-25-12-1-2-13-25/h3-11,14-15H,1-2,12-13,16-17H2
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301082
PNG
(4-(4-fluorobenzyloxy)-1-(3-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3cccc(OCCN4CCCC4)c3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-8-6-19(7-9-20)18-30-23-10-13-27(24(28)17-23)21-4-3-5-22(16-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301087
PNG
(4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-yl)phenet...)
Show SMILES Fc1ccc(COc2ccn(CCc3ccc(cc3)N3CCCC3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O2/c25-21-7-3-20(4-8-21)18-29-23-12-16-27(24(28)17-23)15-11-19-5-9-22(10-6-19)26-13-1-2-14-26/h3-10,12,16-17H,1-2,11,13-15,18H2
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel 1


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H3 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H4 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of adenosine receptor A2A


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa-type opioid receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H3 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H4 receptor


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
PDB
MMDB

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n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of adenosine receptor A2A


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301098
PNG
(4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Show InChI InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel 1


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair