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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'takezawa' and Initial = 'a'   
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 1


(Homo sapiens (Human))
BDBM50258478
PNG
(2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[fur...)
Show SMILES FCCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H29F4N5O2/c28-7-14-35(26(37)25(36-11-1-8-33-36)19-3-4-22(29)23(30)15-19)10-2-9-34-12-5-27(6-13-34)21-17-32-24(31)16-20(21)18-38-27/h1,3-4,8,11,15-17,25H,2,5-7,9-10,12-14,18H2
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n/an/a 0.0900n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301705
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES CCO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H26F3N3O2/c1-2-35-32-26(20-7-8-23(28)24(29)13-20)19-5-3-18(4-6-19)16-33-11-9-27(10-12-33)22-15-31-25(30)14-21(22)17-34-27/h3-8,13-15H,2,9-12,16-17H2,1H3/b32-26-
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n/an/a 0.120n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301704
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES CO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C26H24F3N3O2/c1-33-31-25(19-6-7-22(27)23(28)12-19)18-4-2-17(3-5-18)15-32-10-8-26(9-11-32)21-14-30-24(29)13-20(21)16-34-26/h2-7,12-14H,8-11,15-16H2,1H3/b31-25-
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n/an/a 0.220n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301702
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(N=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H22F3N3O2/c26-21-6-5-18(11-22(21)27)24(30-32)17-3-1-16(2-4-17)14-31-9-7-25(8-10-31)20-13-29-23(28)12-19(20)15-33-25/h1-6,11-13,24H,7-10,14-15H2
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n/an/a 0.260n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301706
PNG
((Z)-(3,4-difluorophenyl)(5-((6-fluoro-1H-spiro[fur...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cn1
Show InChI InChI=1S/C26H25F3N4O2/c1-2-35-32-25(18-4-5-21(27)22(28)11-18)23-6-3-17(13-30-23)15-33-9-7-26(8-10-33)20-14-31-24(29)12-19(20)16-34-26/h3-6,11-14H,2,7-10,15-16H2,1H3/b32-25-
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n/an/a 0.350n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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n/an/a 0.360n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301702
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(N=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H22F3N3O2/c26-21-6-5-18(11-22(21)27)24(30-32)17-3-1-16(2-4-17)14-31-9-7-25(8-10-31)20-13-29-23(28)12-19(20)15-33-25/h1-6,11-13,24H,7-10,14-15H2
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301698
PNG
(3,4-difluoro-N-(4-((6-fluoro-1H-spiro[furo[3,4-c]p...)
Show SMILES CN(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H24F3N3O/c1-30(20-6-7-22(26)23(27)13-20)19-4-2-17(3-5-19)15-31-10-8-25(9-11-31)21-14-29-24(28)12-18(21)16-32-25/h2-7,12-14H,8-11,15-16H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301701
PNG
((3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[furo[3,...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H21F3N2O2/c26-21-6-5-18(11-22(21)27)24(31)17-3-1-16(2-4-17)14-30-9-7-25(8-10-30)20-13-29-23(28)12-19(20)15-32-25/h1-6,11-13H,7-10,14-15H2
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50219047
PNG
(CHEMBL245231 | N-(3-(1-(4-(3,4-difluorophenoxy)ben...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
Show InChI InChI=1S/C28H30F2N2O2/c1-19(2)28(33)31-23-5-3-4-22(16-23)21-12-14-32(15-13-21)18-20-6-8-24(9-7-20)34-25-10-11-26(29)27(30)17-25/h3-11,16-17,19,21H,12-15,18H2,1-2H3,(H,31,33)
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n/an/a 1.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat MCH1R receptor


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301700
PNG
(CHEMBL568361 | rac-1-(3,4-difluorophenyl)-1-(4-((6...)
Show SMILES CC(O)(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C26H25F3N2O2/c1-25(32,20-6-7-22(27)23(28)13-20)19-4-2-17(3-5-19)15-31-10-8-26(9-11-31)21-14-30-24(29)12-18(21)16-33-26/h2-7,12-14,32H,8-11,15-16H2,1H3
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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 MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301696
PNG
(1'-(4-(3,4-difluorophenoxy)benzyl)-6-fluoro-1H-spi...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(Oc5ccc(F)c(F)c5)cc4)CC3)c2cn1
Show InChI InChI=1S/C24H21F3N2O2/c25-21-6-5-19(12-22(21)26)31-18-3-1-16(2-4-18)14-29-9-7-24(8-10-29)20-13-28-23(27)11-17(20)15-30-24/h1-6,11-13H,7-10,14-15H2
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n/an/a 3.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301697
PNG
(3,4-difluoro-N-(4-((6-fluoro-1H-spiro[furo[3,4-c]p...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(Nc5ccc(F)c(F)c5)cc4)CC3)c2cn1
Show InChI InChI=1S/C24H22F3N3O/c25-21-6-5-19(12-22(21)26)29-18-3-1-16(2-4-18)14-30-9-7-24(8-10-30)20-13-28-23(27)11-17(20)15-31-24/h1-6,11-13,29H,7-10,14-15H2
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n/an/a 4.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301699
PNG
(CHEMBL568572 | rac-(3,4-difluorophenyl)(4-((6-fluo...)
Show SMILES OC(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H23F3N2O2/c26-21-6-5-18(11-22(21)27)24(31)17-3-1-16(2-4-17)14-30-9-7-25(8-10-30)20-13-29-23(28)12-19(20)15-32-25/h1-6,11-13,24,31H,7-10,14-15H2
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n/an/a 6.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a 6.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a 8.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat MCH1R receptor


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2


(Homo sapiens (Human))
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a>10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human MCH2R


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a 12n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse MCH1R receptor


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301701
PNG
((3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[furo[3,...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H21F3N2O2/c26-21-6-5-18(11-22(21)27)24(31)17-3-1-16(2-4-17)14-30-9-7-25(8-10-30)20-13-29-23(28)12-19(20)15-32-25/h1-6,11-13H,7-10,14-15H2
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n/an/a 17n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301697
PNG
(3,4-difluoro-N-(4-((6-fluoro-1H-spiro[furo[3,4-c]p...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(Nc5ccc(F)c(F)c5)cc4)CC3)c2cn1
Show InChI InChI=1S/C24H22F3N3O/c25-21-6-5-19(12-22(21)26)29-18-3-1-16(2-4-18)14-30-9-7-24(8-10-30)20-13-28-23(27)11-17(20)15-31-24/h1-6,11-13,29H,7-10,14-15H2
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n/an/a 23n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301696
PNG
(1'-(4-(3,4-difluorophenoxy)benzyl)-6-fluoro-1H-spi...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(Oc5ccc(F)c(F)c5)cc4)CC3)c2cn1
Show InChI InChI=1S/C24H21F3N2O2/c25-21-6-5-19(12-22(21)26)31-18-3-1-16(2-4-18)14-29-9-7-24(8-10-29)20-13-28-23(27)11-17(20)15-30-24/h1-6,11-13H,7-10,14-15H2
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n/an/a 24n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301698
PNG
(3,4-difluoro-N-(4-((6-fluoro-1H-spiro[furo[3,4-c]p...)
Show SMILES CN(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H24F3N3O/c1-30(20-6-7-22(26)23(27)13-20)19-4-2-17(3-5-19)15-31-10-8-25(9-11-31)21-14-29-24(28)12-18(21)16-32-25/h2-7,12-14H,8-11,15-16H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a 25n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human MCH1R receptor expressed in CHO cells assessed as inhibition of MCH-induced calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50301707
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(=O)n(C)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-16-32(2)25(34)13-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a 45n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301705
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES CCO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H26F3N3O2/c1-2-35-32-26(20-7-8-23(28)24(29)13-20)19-5-3-18(4-6-19)16-33-11-9-27(10-12-33)22-15-31-25(30)14-21(22)17-34-27/h3-8,13-15H,2,9-12,16-17H2,1H3/b32-26-
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n/an/a 140n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301704
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES CO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C26H24F3N3O2/c1-33-31-25(19-6-7-22(27)23(28)12-19)18-4-2-17(3-5-18)15-32-10-8-26(9-11-32)21-14-30-24(29)13-20(21)16-34-26/h2-7,12-14H,8-11,15-16H2,1H3/b31-25-
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n/an/a 250n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301702
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(N=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H22F3N3O2/c26-21-6-5-18(11-22(21)27)24(30-32)17-3-1-16(2-4-17)14-31-9-7-25(8-10-31)20-13-29-23(28)12-19(20)15-33-25/h1-6,11-13,24H,7-10,14-15H2
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n/an/a 280n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301702
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(N=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H22F3N3O2/c26-21-6-5-18(11-22(21)27)24(30-32)17-3-1-16(2-4-17)14-31-9-7-25(8-10-31)20-13-29-23(28)12-19(20)15-33-25/h1-6,11-13,24H,7-10,14-15H2
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n/an/a 310n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301699
PNG
(CHEMBL568572 | rac-(3,4-difluorophenyl)(4-((6-fluo...)
Show SMILES OC(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H23F3N2O2/c26-21-6-5-18(11-22(21)27)24(31)17-3-1-16(2-4-17)14-30-9-7-25(8-10-30)20-13-29-23(28)12-19(20)15-32-25/h1-6,11-13,24,31H,7-10,14-15H2
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n/an/a 520n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301700
PNG
(CHEMBL568361 | rac-1-(3,4-difluorophenyl)-1-(4-((6...)
Show SMILES CC(O)(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C26H25F3N2O2/c1-25(32,20-6-7-22(27)23(28)13-20)19-4-2-17(3-5-19)15-31-10-8-26(9-11-31)21-14-30-24(29)12-18(21)16-33-26/h2-7,12-14,32H,8-11,15-16H2,1H3
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n/an/a 530n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301706
PNG
((Z)-(3,4-difluorophenyl)(5-((6-fluoro-1H-spiro[fur...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cn1
Show InChI InChI=1S/C26H25F3N4O2/c1-2-35-32-25(18-4-5-21(27)22(28)11-18)23-6-3-17(13-30-23)15-33-9-7-26(8-10-33)20-14-31-24(29)12-19(20)16-34-26/h3-6,11-14H,2,7-10,15-16H2,1H3/b32-25-
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n/an/a 1.79E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a 3.67E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301707
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(=O)n(C)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-16-32(2)25(34)13-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair