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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50019064   
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))
BDBM50201274
PNG
(CHEMBL215661 | N-(1-(6-acetamido-2,3-dihydro-1H-in...)
Show SMILES CC(=O)Nc1ccc2CCC(N3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)c2c1
Show InChI InChI=1S/C26H26FN3O4/c1-15(31)28-19-5-2-16-3-7-22(21(16)13-19)30-10-8-18(9-11-30)29-26(33)25-14-23(32)20-6-4-17(27)12-24(20)34-25/h2,4-6,12-14,18,22H,3,7-11H2,1H3,(H,28,31)(H,29,33)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50201274
PNG
(CHEMBL215661 | N-(1-(6-acetamido-2,3-dihydro-1H-in...)
Show SMILES CC(=O)Nc1ccc2CCC(N3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)c2c1
Show InChI InChI=1S/C26H26FN3O4/c1-15(31)28-19-5-2-16-3-7-22(21(16)13-19)30-10-8-18(9-11-30)29-26(33)25-14-23(32)20-6-4-17(27)12-24(20)34-25/h2,4-6,12-14,18,22H,3,7-11H2,1H3,(H,28,31)(H,29,33)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197113
PNG
(CHEMBL214731 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50201273
PNG
(CHEMBL214585 | N-(1-(6,7-dihydro-5H-indeno[5,6-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2cc3OCOc3cc12
Show InChI InChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50201273
PNG
(CHEMBL214585 | N-(1-(6,7-dihydro-5H-indeno[5,6-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2cc3OCOc3cc12
Show InChI InChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50201271
PNG
(7-fluoro-4-oxo-N-(1-(2-oxo-3,5,6,7-tetrahydro-2H-i...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2cc3oc(=O)[nH]c3cc12
Show InChI InChI=1S/C25H22FN3O5/c26-14-2-3-16-20(30)12-23(33-21(16)10-14)24(31)27-15-5-7-29(8-6-15)19-4-1-13-9-22-18(11-17(13)19)28-25(32)34-22/h2-3,9-12,15,19H,1,4-8H2,(H,27,31)(H,28,32)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50201275
PNG
(7-fluoro-4-oxo-N-(1-(3-oxo-2,3,4,6,7,8-hexahydroin...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2cc3OCC(=O)Nc3cc12
Show InChI InChI=1S/C26H24FN3O5/c27-15-2-3-17-21(31)12-24(35-22(17)10-15)26(33)28-16-5-7-30(8-6-16)20-4-1-14-9-23-19(11-18(14)20)29-25(32)13-34-23/h2-3,9-12,16,20H,1,4-8,13H2,(H,28,33)(H,29,32)
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50201272
PNG
(CHEMBL425257 | N-(1-(7,8-dihydro-6H-indeno[5,4-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2c1ccc1OCOc21
Show InChI InChI=1S/C25H23FN2O5/c26-14-1-5-21-18(11-14)20(29)12-23(33-21)25(30)27-15-7-9-28(10-8-15)19-4-2-17-16(19)3-6-22-24(17)32-13-31-22/h1,3,5-6,11-12,15,19H,2,4,7-10,13H2,(H,27,30)
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n/an/a 76n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201272
PNG
(CHEMBL425257 | N-(1-(7,8-dihydro-6H-indeno[5,4-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2c1ccc1OCOc21
Show InChI InChI=1S/C25H23FN2O5/c26-14-1-5-21-18(11-14)20(29)12-23(33-21)25(30)27-15-7-9-28(10-8-15)19-4-2-17-16(19)3-6-22-24(17)32-13-31-22/h1,3,5-6,11-12,15,19H,2,4,7-10,13H2,(H,27,30)
PDB
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n/an/a 5.86E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2


(Homo sapiens (Human))
BDBM50201273
PNG
(CHEMBL214585 | N-(1-(6,7-dihydro-5H-indeno[5,6-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2cc3OCOc3cc12
Show InChI InChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Affinity for MCH-R2


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201273
PNG
(CHEMBL214585 | N-(1-(6,7-dihydro-5H-indeno[5,6-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2cc3OCOc3cc12
Show InChI InChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201273
PNG
(CHEMBL214585 | N-(1-(6,7-dihydro-5H-indeno[5,6-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2cc3OCOc3cc12
Show InChI InChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201275
PNG
(7-fluoro-4-oxo-N-(1-(3-oxo-2,3,4,6,7,8-hexahydroin...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2cc3OCC(=O)Nc3cc12
Show InChI InChI=1S/C26H24FN3O5/c27-15-2-3-17-21(31)12-24(35-22(17)10-15)26(33)28-16-5-7-30(8-6-16)20-4-1-14-9-23-19(11-18(14)20)29-25(32)13-34-23/h2-3,9-12,16,20H,1,4-8,13H2,(H,28,33)(H,29,32)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197113
PNG
(CHEMBL214731 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201271
PNG
(7-fluoro-4-oxo-N-(1-(2-oxo-3,5,6,7-tetrahydro-2H-i...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2cc3oc(=O)[nH]c3cc12
Show InChI InChI=1S/C25H22FN3O5/c26-14-2-3-16-20(30)12-23(33-21(16)10-14)24(31)27-15-5-7-29(8-6-15)19-4-1-13-9-22-18(11-17(13)19)28-25(32)34-22/h2-3,9-12,15,19H,1,4-8H2,(H,27,31)(H,28,32)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201274
PNG
(CHEMBL215661 | N-(1-(6-acetamido-2,3-dihydro-1H-in...)
Show SMILES CC(=O)Nc1ccc2CCC(N3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)c2c1
Show InChI InChI=1S/C26H26FN3O4/c1-15(31)28-19-5-2-16-3-7-22(21(16)13-19)30-10-8-18(9-11-30)29-26(33)25-14-23(32)20-6-4-17(27)12-24(20)34-25/h2,4-6,12-14,18,22H,3,7-11H2,1H3,(H,28,31)(H,29,33)
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n/an/a 2.72E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201274
PNG
(CHEMBL215661 | N-(1-(6-acetamido-2,3-dihydro-1H-in...)
Show SMILES CC(=O)Nc1ccc2CCC(N3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)c2c1
Show InChI InChI=1S/C26H26FN3O4/c1-15(31)28-19-5-2-16-3-7-22(21(16)13-19)30-10-8-18(9-11-30)29-26(33)25-14-23(32)20-6-4-17(27)12-24(20)34-25/h2,4-6,12-14,18,22H,3,7-11H2,1H3,(H,28,31)(H,29,33)
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n/an/a 2.72E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair