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Compile Data Set for Download or QSAR

Found 16739 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor'   
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))
BDBM50391432
PNG
(CHEMBL2146615)
Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
Show InChI InChI=1/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/s2
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n/an/an/a 0.180n/an/an/an/an/a



Medical University of Vienna

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1 expressed in COS7 cells


Bioorg Med Chem 20: 5936-40 (2012)


Article DOI: 10.1016/j.bmc.2012.07.051
BindingDB Entry DOI: 10.7270/Q2KP8376
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095768
PNG
(CHEMBL3590463)
Show SMILES CCCCCCCc1cccc(CCCCCCC)[n+]1C
Show InChI InChI=1S/C20H36N.CHF3O3S/c1-4-6-8-10-12-15-19-17-14-18-20(21(19)3)16-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h14,17-18H,4-13,15-16H2,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 0.440n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095652
PNG
(CHEMBL3590452)
Show SMILES CN(CCCCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N3O5/c1-20(14-12-16-4-6-17(7-5-16)21(23)24)13-2-3-15-27-19-10-8-18(9-11-19)22(25)26/h4-11H,2-3,12-15H2,1H3
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n/an/an/a 0.730n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095764
PNG
(CHEMBL3140084)
Show SMILES CCCCCCC[N+](CC)(CC)CC#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H31ClN/c1-4-7-8-9-10-17-22(5-2,6-3)18-11-12-19-13-15-20(21)16-14-19/h13-16H,4-10,17-18H2,1-3H3/q+1
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n/an/an/a 1.20n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50331161
PNG
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1
Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2
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n/an/an/a 1.42n/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to MCH-1 receptor


Bioorg Med Chem Lett 20: 7024-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427971
PNG
(CHEMBL2325208)
Show SMILES CCCCCCCCc1cccc(CCCCCCCC)[n+]1C
Show InChI InChI=1S/C22H40N/c1-4-6-8-10-12-14-17-21-19-16-20-22(23(21)3)18-15-13-11-9-7-5-2/h16,19-20H,4-15,17-18H2,1-3H3/q+1
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n/an/an/a 1.90n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095642
PNG
(CHEMBL3590446)
Show SMILES CCN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O5/c1-2-19(12-11-15-3-5-16(6-4-15)20(22)23)13-14-26-18-9-7-17(8-10-18)21(24)25/h3-10H,2,11-14H2,1H3
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n/an/an/a 3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095769
PNG
(CHEMBL3590465)
Show SMILES CCCCCCCCCc1cccc(CCCCCCCCC)[n+]1C
Show InChI InChI=1S/C24H44N.CHF3O3S/c1-4-6-8-10-12-14-16-19-23-21-18-22-24(25(23)3)20-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h18,21-22H,4-17,19-20H2,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 4n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427960
PNG
(CHEMBL2324244)
Show SMILES C[n+]1c(CCCOc2ccc(Cl)cc2)cccc1CCCOc1ccc(Cl)cc1
Show InChI InChI=1S/C24H26Cl2NO2/c1-27-21(7-3-17-28-23-13-9-19(25)10-14-23)5-2-6-22(27)8-4-18-29-24-15-11-20(26)12-16-24/h2,5-6,9-16H,3-4,7-8,17-18H2,1H3/q+1
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n/an/an/a 6.10n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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n/an/an/a 10n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by Schild experiment


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095767
PNG
(CHEMBL3590462)
Show SMILES CCCCCCc1cccc(CCCCCC)[n+]1C
Show InChI InChI=1S/C18H32N.CHF3O3S/c1-4-6-8-10-13-17-15-12-16-18(19(17)3)14-11-9-7-5-2;2-1(3,4)8(5,6)7/h12,15-16H,4-11,13-14H2,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 12n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095760
PNG
(CHEMBL3093959)
Show SMILES CCCCCCCN(CC)CCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H32ClN/c1-3-5-6-7-9-16-21(4-2)17-10-8-11-18-12-14-19(20)15-13-18/h12-15H,3-11,16-17H2,1-2H3
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n/an/an/a 16n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095759
PNG
(CHEMBL3590458)
Show SMILES C[N+]1(CCc2ccccc2)CCC(CC1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClNO/c1-23(14-11-17-5-3-2-4-6-17)15-12-19(13-16-23)21(24)18-7-9-20(22)10-8-18/h2-10,19H,11-16H2,1H3/q+1
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n/an/an/a 18n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095641
PNG
(CHEMBL3590445)
Show SMILES CN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H19N3O5/c1-18(11-10-14-2-4-15(5-3-14)19(21)22)12-13-25-17-8-6-16(7-9-17)20(23)24/h2-9H,10-13H2,1H3
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n/an/an/a 20n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095757
PNG
(CHEMBL3590457)
Show SMILES Cc1ccc(cc1)C(=O)C1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c1-18-9-11-20(12-10-18)22(24)21-13-16-23(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3
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n/an/an/a 34n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095734
PNG
(CHEMBL3590456)
Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C20H20Cl3NO/c21-17-4-2-15(3-5-17)20(25)16-8-11-24(12-9-16)10-7-14-1-6-18(22)19(23)13-14/h1-6,13,16H,7-12H2
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n/an/an/a 36n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095780
PNG
(CHEMBL3590466)
Show SMILES CCCCCCCCCCc1cccc(CCCCCCCCCC)[n+]1C
Show InChI InChI=1S/C26H48N.CHF3O3S/c1-4-6-8-10-12-14-16-18-21-25-23-20-24-26(27(25)3)22-19-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h20,23-24H,4-19,21-22H2,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 37n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095643
PNG
(CHEMBL3590447)
Show SMILES [O-][N+](=O)c1ccc(CCN(CCF)CCOc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H20FN3O5/c19-10-12-20(11-9-15-1-3-16(4-2-15)21(23)24)13-14-27-18-7-5-17(6-8-18)22(25)26/h1-8H,9-14H2
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n/an/an/a 41n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095640
PNG
(CHEMBL3590444)
Show SMILES [O-][N+](=O)c1ccc(CCNCCOc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H17N3O5/c20-18(21)14-3-1-13(2-4-14)9-10-17-11-12-24-16-7-5-15(6-8-16)19(22)23/h1-8,17H,9-12H2
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n/an/an/a 53n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095792
PNG
(CHEMBL3590470)
Show SMILES C[n+]1c(CCc2ccc(cc2)-c2ccccc2)cccc1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H32N/c1-35-33(25-19-27-15-21-31(22-16-27)29-9-4-2-5-10-29)13-8-14-34(35)26-20-28-17-23-32(24-18-28)30-11-6-3-7-12-30/h2-18,21-24H,19-20,25-26H2,1H3/q+1
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n/an/an/a 60n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095795
PNG
(CHEMBL3590495)
Show SMILES Cc1cccc(c1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2cccc(C)c2)[n+]1C
Show InChI InChI=1S/C36H28N.CHF3O3S/c1-27-7-4-9-33(25-27)31-19-13-29(14-20-31)17-23-35-11-6-12-36(37(35)3)24-18-30-15-21-32(22-16-30)34-10-5-8-28(2)26-34;2-1(3,4)8(5,6)7/h4-16,19-22,25-26H,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 72n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095722
PNG
(CHEMBL3590453)
Show SMILES CN(CCCCOc1ccc(cc1)[N+]([O-])=O)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O5/c1-19(14-15-4-6-16(7-5-15)20(22)23)12-2-3-13-26-18-10-8-17(9-11-18)21(24)25/h4-11H,2-3,12-14H2,1H3
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n/an/an/a 85n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095761
PNG
(CHEMBL3093953)
Show SMILES CCCCCCCN(CC)C\C=C\Cc1ccccc1
Show InChI InChI=1S/C19H31N/c1-3-5-6-7-12-17-20(4-2)18-13-11-16-19-14-9-8-10-15-19/h8-11,13-15H,3-7,12,16-18H2,1-2H3/b13-11+
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n/an/an/a 86n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095644
PNG
(CHEMBL3590448)
Show SMILES [O-][N+](=O)c1ccc(CCN(CCOc2ccc(cc2)[N+]([O-])=O)CC#N)cc1
Show InChI InChI=1S/C18H18N4O5/c19-10-12-20(11-9-15-1-3-16(4-2-15)21(23)24)13-14-27-18-7-5-17(6-8-18)22(25)26/h1-8H,9,11-14H2
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n/an/an/a 99n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095639
PNG
(CHEMBL3093972)
Show SMILES CCCCCCCN(CC)CC#CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H33N/c1-3-5-6-7-14-21-26(4-2)22-15-20-25(23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,25H,3-7,14,21-22H2,1-2H3
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n/an/an/a 100n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095834
PNG
(CHEMBL3590501)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccc(Cl)cc1)C#Cc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H22Cl2N.CHF3O3S/c1-37-33(23-9-25-5-11-27(12-6-25)29-15-19-31(35)20-16-29)3-2-4-34(37)24-10-26-7-13-28(14-8-26)30-17-21-32(36)22-18-30;2-1(3,4)8(5,6)7/h2-8,11-22H,1H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 100n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095833
PNG
(CHEMBL3590500)
Show SMILES C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccc(O)cc1)C#Cc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C34H23NO2.CHF3O3S/c1-35-31(19-9-25-5-11-27(12-6-25)29-15-21-33(36)22-16-29)3-2-4-32(35)20-10-26-7-13-28(14-8-26)30-17-23-34(37)24-18-30;2-1(3,4)8(5,6)7/h2-8,11-18,21-24H,1H3,(H,36,37);(H,5,6,7)
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n/an/an/a 103n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095832
PNG
(CHEMBL3590499)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.COc1ccc(cc1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2ccc(OC)cc2)[n+]1C
Show InChI InChI=1S/C36H28NO2.CHF3O3S/c1-37-33(21-11-27-7-13-29(14-8-27)31-17-23-35(38-2)24-18-31)5-4-6-34(37)22-12-28-9-15-30(16-10-28)32-19-25-36(39-3)26-20-32;2-1(3,4)8(5,6)7/h4-10,13-20,23-26H,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 105n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095796
PNG
(CHEMBL3590496)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2cccc(OC)c2)[n+]1C
Show InChI InChI=1S/C36H28NO2.CHF3O3S/c1-37-33(23-17-27-13-19-29(20-14-27)31-7-4-11-35(25-31)38-2)9-6-10-34(37)24-18-28-15-21-30(22-16-28)32-8-5-12-36(26-32)39-3;2-1(3,4)8(5,6)7/h4-16,19-22,25-26H,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 125n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095647
PNG
(CHEMBL3590450)
Show SMILES CC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H19N3O6/c1-14(22)19(11-10-15-2-4-16(5-3-15)20(23)24)12-13-27-18-8-6-17(7-9-18)21(25)26/h2-9H,10-13H2,1H3
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n/an/an/a 132n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427967
PNG
(CHEMBL2325212)
Show SMILES C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H24N/c1-35-33(25-19-27-15-21-31(22-16-27)29-9-4-2-5-10-29)13-8-14-34(35)26-20-28-17-23-32(24-18-28)30-11-6-3-7-12-30/h2-18,21-24H,1H3/q+1
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n/an/an/a 132n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095797
PNG
(CHEMBL3590497)
Show SMILES C[n+]1c(cccc1C#Cc1ccc(cc1)-c1cccc(Cl)c1)C#Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C34H22Cl2N.CHF3O3S/c1-37-33(21-15-25-11-17-27(18-12-25)29-5-2-7-31(35)23-29)9-4-10-34(37)22-16-26-13-19-28(20-14-26)30-6-3-8-32(36)24-30;2-1(3,4)8(5,6)7/h2-14,17-20,23-24H,1H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 135n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095783
PNG
(CHEMBL3590467)
Show SMILES CCCCCCCCCCCCc1cccc(CCCCCCCCCCCC)[n+]1C
Show InChI InChI=1S/C30H56N.CHF3O3S/c1-4-6-8-10-12-14-16-18-20-22-25-29-27-24-28-30(31(29)3)26-23-21-19-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h24,27-28H,4-23,25-26H2,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 153n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095794
PNG
(CHEMBL3590494)
Show SMILES Cc1ccccc1-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2ccccc2C)[n+]1C
Show InChI InChI=1S/C36H28N.CHF3O3S/c1-27-9-4-6-13-35(27)31-21-15-29(16-22-31)19-25-33-11-8-12-34(37(33)3)26-20-30-17-23-32(24-18-30)36-14-7-5-10-28(36)2;2-1(3,4)8(5,6)7/h4-18,21-24H,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 203n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095651
PNG
(CHEMBL3590451)
Show SMILES [O-][N+](=O)c1ccc(CCN(CCOc2ccc(cc2)[N+]([O-])=O)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O6/c19-18(20,21)17(25)22(10-9-13-1-3-14(4-2-13)23(26)27)11-12-30-16-7-5-15(6-8-16)24(28)29/h1-8H,9-12H2
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n/an/an/a 247n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095645
PNG
(CHEMBL3590449)
Show SMILES OC(=O)CN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H19N3O7/c22-18(23)13-19(10-9-14-1-3-15(4-2-14)20(24)25)11-12-28-17-7-5-16(6-8-17)21(26)27/h1-8H,9-13H2,(H,22,23)
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n/an/an/a 260n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427969
PNG
(CHEMBL2325210)
Show SMILES C[n+]1c(cccc1C#Cc1ccccc1)C#Cc1ccccc1
Show InChI InChI=1S/C22H16N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-14H,1H3/q+1
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n/an/an/a 368n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095798
PNG
(CHEMBL3590498)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2ccc(C)cc2)[n+]1C
Show InChI InChI=1S/C36H28N.CHF3O3S/c1-27-7-17-31(18-8-27)33-21-11-29(12-22-33)15-25-35-5-4-6-36(37(35)3)26-16-30-13-23-34(24-14-30)32-19-9-28(2)10-20-32;2-1(3,4)8(5,6)7/h4-14,17-24H,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 440n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095730
PNG
(CHEMBL3590455)
Show SMILES COc1ccc(CCN(C)CCOc2ccccc2)cc1
Show InChI InChI=1S/C18H23NO2/c1-19(14-15-21-18-6-4-3-5-7-18)13-12-16-8-10-17(20-2)11-9-16/h3-11H,12-15H2,1-2H3
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n/an/an/a 591n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095763
PNG
(CHEMBL3590460)
Show SMILES CCCN(CC)CC#Cc1ccc(C)cc1
Show InChI InChI=1S/C15H21N/c1-4-12-16(5-2)13-6-7-15-10-8-14(3)9-11-15/h8-11H,4-5,12-13H2,1-3H3
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n/an/an/a 637n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427968
PNG
(CHEMBL2325211)
Show SMILES C[n+]1c(cccc1C#CC1CCCCC1)C#CC1CCCCC1
Show InChI InChI=1S/C22H28N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h8,13-14,19-20H,2-7,9-12H2,1H3/q+1
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n/an/an/a 1.07E+3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095762
PNG
(CHEMBL3590459)
Show SMILES CCCCCCCN(CC)CC#Cc1ccc(C)cc1
Show InChI InChI=1S/C19H29N/c1-4-6-7-8-9-16-20(5-2)17-10-11-19-14-12-18(3)13-15-19/h12-15H,4-9,16-17H2,1-3H3
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n/an/an/a 1.19E+3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095758
PNG
(CHEMBL1464333)
Show SMILES O=C(N1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c22-19(18-9-5-2-6-10-18)21-15-13-20(14-16-21)12-11-17-7-3-1-4-8-17/h1-10H,11-16H2
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n/an/an/a 1.81E+3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095789
PNG
(CHEMBL3590468)
Show SMILES CCCCCCCCCCC#Cc1cccc(C#CCCCCCCCCCC)[n+]1C
Show InChI InChI=1S/C30H48N.CHF3O3S/c1-4-6-8-10-12-14-16-18-20-22-25-29-27-24-28-30(31(29)3)26-23-21-19-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h24,27-28H,4-21H2,1-3H3;(H,5,6,7)/q+1;/p-1
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n/an/an/a 4.26E+3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095725
PNG
(CHEMBL3590454)
Show SMILES CN(CCOc1ccc(Cl)c(Cl)c1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl4NO/c1-22(7-6-12-2-4-14(18)16(20)10-12)8-9-23-13-3-5-15(19)17(21)11-13/h2-5,10-11H,6-9H2,1H3
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n/an/an/a 5.81E+3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427984
PNG
(CHEMBL2324257)
Show SMILES Clc1ccc(OCCCc2cccc(CCCOc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C23H23Cl2NO2/c24-18-8-12-22(13-9-18)27-16-2-6-20-4-1-5-21(26-20)7-3-17-28-23-14-10-19(25)11-15-23/h1,4-5,8-15H,2-3,6-7,16-17H2
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n/an/an/a 6.63E+3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427961
PNG
(CHEMBL2324239)
Show SMILES C[n+]1c(cccc1C#CCOc1ccc(Cl)cc1)C#CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2NO2/c1-27-21(7-3-17-28-23-13-9-19(25)10-14-23)5-2-6-22(27)8-4-18-29-24-15-11-20(26)12-16-24/h2,5-6,9-16H,17-18H2,1H3/q+1
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n/an/an/a 8.88E+3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095766
PNG
(CHEMBL3590461)
Show SMILES CCCCCCCCc1cccc(CCCCCCCC)n1
Show InChI InChI=1S/C21H37N/c1-3-5-7-9-11-13-16-20-18-15-19-21(22-20)17-14-12-10-8-6-4-2/h15,18-19H,3-14,16-17H2,1-2H3
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n/an/an/a 1.91E+5n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50295693
PNG
((6S,9S,12S,15S,18S,21S)-1,21-diamino-6-((3R,8R,11S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)CN[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1/C109H162N30O25S4/c1-58(2)45-75-91(148)123-55-86(142)125-70(27-17-39-118-107(112)113)95(152)138-89(60(5)6)104(161)135-78(48-62-23-13-10-14-24-62)98(155)129-74(29-19-41-120-109(116)117)105(162)139-42-20-30-84(139)103(160)137-83(102(159)133-79(50-64-53-121-69-26-16-15-25-67(64)69)96(153)124-65(33-36-85(111)141)54-122-81(106(163)164)49-63-31-34-66(140)35-32-63)57-168-167-56-82(101(158)128-73(38-44-166-8)93(150)131-75)136-92(149)71(28-18-40-119-108(114)115)126-97(154)76(46-59(3)4)132-94(151)72(37-43-165-7)127-100(157)80(52-88(145)146)134-99(156)77(47-61-21-11-9-12-22-61)130-90(147)68(110)51-87(143)144/h9-16,21-26,31-32,34-35,53,58-60,65,68,70-84,89,121-122,140H,17-20,27-30,33,36-52,54-57,110H2,1-8H3,(H2,111,141)(H,123,148)(H,124,153)(H,125,142)(H,126,154)(H,127,157)(H,128,158)(H,129,155)(H,130,147)(H,131,150)(H,132,151)(H,133,159)(H,134,156)(H,135,161)(H,136,149)(H,137,160)(H,138,152)(H,143,144)(H,145,146)(H,163,164)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t65-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/s2
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0.0340n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50295693
PNG
((6S,9S,12S,15S,18S,21S)-1,21-diamino-6-((3R,8R,11S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)CN[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1/C109H162N30O25S4/c1-58(2)45-75-91(148)123-55-86(142)125-70(27-17-39-118-107(112)113)95(152)138-89(60(5)6)104(161)135-78(48-62-23-13-10-14-24-62)98(155)129-74(29-19-41-120-109(116)117)105(162)139-42-20-30-84(139)103(160)137-83(102(159)133-79(50-64-53-121-69-26-16-15-25-67(64)69)96(153)124-65(33-36-85(111)141)54-122-81(106(163)164)49-63-31-34-66(140)35-32-63)57-168-167-56-82(101(158)128-73(38-44-166-8)93(150)131-75)136-92(149)71(28-18-40-119-108(114)115)126-97(154)76(46-59(3)4)132-94(151)72(37-43-165-7)127-100(157)80(52-88(145)146)134-99(156)77(47-61-21-11-9-12-22-61)130-90(147)68(110)51-87(143)144/h9-16,21-26,31-32,34-35,53,58-60,65,68,70-84,89,121-122,140H,17-20,27-30,33,36-52,54-57,110H2,1-8H3,(H2,111,141)(H,123,148)(H,124,153)(H,125,142)(H,126,154)(H,127,157)(H,128,158)(H,129,155)(H,130,147)(H,131,150)(H,132,151)(H,133,159)(H,134,156)(H,135,161)(H,136,149)(H,137,160)(H,138,152)(H,143,144)(H,145,146)(H,163,164)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t65-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/s2
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0.0520n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
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