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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50018582   
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))
BDBM50197136
PNG
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197135
PNG
(CHEMBL217442 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H23FN2O6/c1-30-21-11-20-16(9-17(21)25)18(28)10-23(33-20)24(29)26-15-4-6-27(7-5-15)12-14-2-3-19-22(8-14)32-13-31-19/h2-3,8-11,15H,4-7,12-13H2,1H3,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197143
PNG
(CHEMBL277531 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Cc1c(oc2cc(Cl)ccc2c1=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H23ClN2O5/c1-14-22(28)18-4-3-16(25)11-20(18)32-23(14)24(29)26-17-6-8-27(9-7-17)12-15-2-5-19-21(10-15)31-13-30-19/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50185040
PNG
(CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197144
PNG
(CHEMBL387418 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2c(cc1Cl)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20ClFN2O5/c24-16-9-20-15(8-17(16)25)18(28)10-22(32-20)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197139
PNG
(CHEMBL214021 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197124
PNG
(CHEMBL217789 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21ClN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50185042
PNG
(CHEMBL206081 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)12-23(32-21(18)11-17)24(28)25-16-6-8-26(9-7-16)13-15-2-5-20-22(10-15)31-14-30-20/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197119
PNG
(CHEMBL216225 | N-[1-[(3-fluorobenzyl)methyl]piperi...)
Show SMILES Fc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Show InChI InChI=1S/C22H20F2N2O3/c23-15-3-1-2-14(10-15)13-26-8-6-17(7-9-26)25-22(28)21-12-19(27)18-5-4-16(24)11-20(18)29-21/h1-5,10-12,17H,6-9,13H2,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197120
PNG
(CHEMBL217593 | N-[1-[(4-methoxybenzyl)methyl]piper...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C23H23FN2O4/c1-29-18-5-2-15(3-6-18)14-26-10-8-17(9-11-26)25-23(28)22-13-20(27)19-7-4-16(24)12-21(19)30-22/h2-7,12-13,17H,8-11,14H2,1H3,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197146
PNG
(CHEMBL217105 | N-{1-[(6-chloro-1,3-benzodioxol-5-y...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2cc3OCOc3cc2Cl)CC1
Show InChI InChI=1S/C23H20ClFN2O5/c24-17-9-21-20(30-12-31-21)7-13(17)11-27-5-3-15(4-6-27)26-23(29)22-10-18(28)16-2-1-14(25)8-19(16)32-22/h1-2,7-10,15H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197125
PNG
(CHEMBL386021 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1cccc2oc(cc(=O)c12)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21ClN2O5/c24-16-2-1-3-19-22(16)17(27)11-21(31-19)23(28)25-15-6-8-26(9-7-15)12-14-4-5-18-20(10-14)30-13-29-18/h1-5,10-11,15H,6-9,12-13H2,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197108
PNG
(CHEMBL217400 | N-[1-[(3-methoxybenzyl)methyl]piper...)
Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Show InChI InChI=1S/C23H23FN2O4/c1-29-18-4-2-3-15(11-18)14-26-9-7-17(8-10-26)25-23(28)22-13-20(27)19-6-5-16(24)12-21(19)30-22/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197116
PNG
(CHEMBL217706 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Brc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21BrN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197132
PNG
(CHEMBL384487 | N-[1-{4-[(4-aminopiperidin-1-yl)met...)
Show SMILES CC(=O)c1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-15(28)17-4-2-16(3-5-17)14-27-10-8-19(9-11-27)26-24(30)23-13-21(29)20-7-6-18(25)12-22(20)31-23/h2-7,12-13,19H,8-11,14H2,1H3,(H,26,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197109
PNG
(CHEMBL387417 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccc(cc2o1)C#N
Show InChI InChI=1S/C24H21N3O5/c25-12-15-1-3-18-19(28)11-23(32-21(18)9-15)24(29)26-17-5-7-27(8-6-17)13-16-2-4-20-22(10-16)31-14-30-20/h1-4,9-11,17H,5-8,13-14H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197129
PNG
(CHEMBL387309 | N-[1-[(2-fluoro-4-methoxybenzyl)met...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c(F)c1
Show InChI InChI=1S/C23H22F2N2O4/c1-30-17-4-2-14(19(25)11-17)13-27-8-6-16(7-9-27)26-23(29)22-12-20(28)18-5-3-15(24)10-21(18)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197137
PNG
(CHEMBL217707 | N-[1-[(2,2-difluoro-1,3-benzodioxol...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OC(F)(F)Oc3c2)CC1
Show InChI InChI=1S/C23H19F3N2O5/c24-14-2-3-16-17(29)11-21(31-19(16)10-14)22(30)27-15-5-7-28(8-6-15)12-13-1-4-18-20(9-13)33-23(25,26)32-18/h1-4,9-11,15H,5-8,12H2,(H,27,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197131
PNG
(CHEMBL214377 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES CCc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H26N2O5/c1-2-16-3-5-19-20(28)13-24(32-22(19)11-16)25(29)26-18-7-9-27(10-8-18)14-17-4-6-21-23(12-17)31-15-30-21/h3-6,11-13,18H,2,7-10,14-15H2,1H3,(H,26,29)
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n/an/a 59n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197118
PNG
(CHEMBL213761 | N-[1-benzylpiperidin-4-yl]-7-fluoro...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H21FN2O3/c23-16-6-7-18-19(26)13-21(28-20(18)12-16)22(27)24-17-8-10-25(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17H,8-11,14H2,(H,24,27)
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n/an/a 60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197111
PNG
(CHEMBL213715 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES FC(F)Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H22F2N2O6/c25-24(26)33-16-2-3-17-18(29)11-22(34-20(17)10-16)23(30)27-15-5-7-28(8-6-15)12-14-1-4-19-21(9-14)32-13-31-19/h1-4,9-11,15,24H,5-8,12-13H2,(H,27,30)
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n/an/a 64n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
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 65n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197114
PNG
(CHEMBL214767 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C23H22N2O5/c26-18-12-22(30-19-4-2-1-3-17(18)19)23(27)24-16-7-9-25(10-8-16)13-15-5-6-20-21(11-15)29-14-28-20/h1-6,11-12,16H,7-10,13-14H2,(H,24,27)
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n/an/a 66n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197115
PNG
(CHEMBL425448 | N-[1-[(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C24H23FN2O5/c25-16-2-3-18-19(28)13-23(32-21(18)12-16)24(29)26-17-5-7-27(8-6-17)14-15-1-4-20-22(11-15)31-10-9-30-20/h1-4,11-13,17H,5-10,14H2,(H,26,29)
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n/an/a 73n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197133
PNG
(CHEMBL214413 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2c(oc(cc2=O)C(=O)NC2CCN(Cc3ccc4OCOc4c3)CC2)c(F)c1F
Show InChI InChI=1S/C23H19F3N2O5/c24-15-8-14-16(29)9-19(33-22(14)21(26)20(15)25)23(30)27-13-3-5-28(6-4-13)10-12-1-2-17-18(7-12)32-11-31-17/h1-2,7-9,13H,3-6,10-11H2,(H,27,30)
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n/an/a 91n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197117
PNG
(CHEMBL441542 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc(F)c2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20F2N2O5/c24-14-8-16-18(28)10-21(32-22(16)17(25)9-14)23(29)26-15-3-5-27(6-4-15)11-13-1-2-19-20(7-13)31-12-30-19/h1-2,7-10,15H,3-6,11-12H2,(H,26,29)
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n/an/a 99n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197122
PNG
(CHEMBL387219 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES FC(F)(F)Oc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H21F3N2O6/c25-24(26,27)35-16-2-4-19-17(10-16)18(30)11-22(34-19)23(31)28-15-5-7-29(8-6-15)12-14-1-3-20-21(9-14)33-13-32-20/h1-4,9-11,15H,5-8,12-13H2,(H,28,31)
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n/an/a 132n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197121
PNG
(CHEMBL214278 | N-[1-[(4-fluorobenzyl)methyl]piperi...)
Show SMILES Fc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C22H20F2N2O3/c23-15-3-1-14(2-4-15)13-26-9-7-17(8-10-26)25-22(28)21-12-19(27)18-6-5-16(24)11-20(18)29-21/h1-6,11-12,17H,7-10,13H2,(H,25,28)
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n/an/a 159n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197106
PNG
(CHEMBL402868 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES FC(F)(F)c1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H21F3N2O5/c25-24(26,27)15-2-3-17-18(30)11-22(34-20(17)10-15)23(31)28-16-5-7-29(8-6-16)12-14-1-4-19-21(9-14)33-13-32-19/h1-4,9-11,16H,5-8,12-13H2,(H,28,31)
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n/an/a 178n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197112
PNG
(CHEMBL217925 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Brc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21BrN2O5/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 187n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197140
PNG
(4-oxo-7-trifluoromethyl-4H-chromene-2-carboxylic a...)
Show SMILES FC(F)(F)c1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H21F3N2O5/c25-24(26,27)15-2-4-19-17(10-15)18(30)11-22(34-19)23(31)28-16-5-7-29(8-6-16)12-14-1-3-20-21(9-14)33-13-32-20/h1-4,9-11,16H,5-8,12-13H2,(H,28,31)
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n/an/a 351n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197127
PNG
(CHEMBL213658 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H24N2O5/c1-15-2-4-20-18(10-15)19(27)12-23(31-20)24(28)25-17-6-8-26(9-7-17)13-16-3-5-21-22(11-16)30-14-29-21/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,25,28)
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n/an/a 393n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197148
PNG
(CHEMBL214075 | N-[1-[(3,4-dimethoxybenzyl)methyl]p...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1OC
Show InChI InChI=1S/C24H25FN2O5/c1-30-20-6-3-15(11-22(20)31-2)14-27-9-7-17(8-10-27)26-24(29)23-13-19(28)18-5-4-16(25)12-21(18)32-23/h3-6,11-13,17H,7-10,14H2,1-2H3,(H,26,29)
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n/an/a 427n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197126
PNG
(CHEMBL216777 | N-[1-[(2-fluorobenzyl)methyl]piperi...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccccc2F)CC1
Show InChI InChI=1S/C22H20F2N2O3/c23-15-5-6-17-19(27)12-21(29-20(17)11-15)22(28)25-16-7-9-26(10-8-16)13-14-3-1-2-4-18(14)24/h1-6,11-12,16H,7-10,13H2,(H,25,28)
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n/an/a 566n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197134
PNG
(CHEMBL214679 | N-[1-(1,3-benzodioxol-4-ylmethyl)pi...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2cccc3OCOc23)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-4-5-17-18(27)11-21(31-20(17)10-15)23(28)25-16-6-8-26(9-7-16)12-14-2-1-3-19-22(14)30-13-29-19/h1-5,10-11,16H,6-9,12-13H2,(H,25,28)
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n/an/a>700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197128
PNG
(CHEMBL216133 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21ClN2O5/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 734n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197130
PNG
(CHEMBL384458 | N-[1-(1,3-benzodioxol-5-ylmethyl)py...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NCC1CCN(Cc2ccc3OCOc3c2)C1
Show InChI InChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)10-23(32-21(18)9-17)24(28)25-11-16-6-7-26(13-16)12-15-2-5-20-22(8-15)31-14-30-20/h2-5,8-10,16H,6-7,11-14H2,1H3,(H,25,28)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197142
PNG
(CHEMBL215631 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H22N2O6/c26-16-2-3-17-18(27)11-22(31-20(17)10-16)23(28)24-15-5-7-25(8-6-15)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,15,26H,5-8,12-13H2,(H,24,28)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197141
PNG
(CHEMBL216680 | N-(1-(4-acetamidobenzyl)piperidin-4...)
Show SMILES CC(=O)Nc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C24H24FN3O4/c1-15(29)26-18-5-2-16(3-6-18)14-28-10-8-19(9-11-28)27-24(31)23-13-21(30)20-7-4-17(25)12-22(20)32-23/h2-7,12-13,19H,8-11,14H2,1H3,(H,26,29)(H,27,31)
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n/an/a 1.69E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197138
PNG
(7-methoxy-4-oxo-4H-chromene-2-carboxylic acid (1-b...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)C1
Show InChI InChI=1S/C23H22N2O6/c1-28-16-3-4-17-18(26)10-22(31-20(17)9-16)23(27)24-15-6-7-25(12-15)11-14-2-5-19-21(8-14)30-13-29-19/h2-5,8-10,15H,6-7,11-13H2,1H3,(H,24,27)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197149
PNG
(7-methoxy-4-oxo-4H-chromene-2-carboxylic acid (4-{...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCC(CNc2ccc3OCOc3c2)CC1 |(10.27,-11.62,;11.6,-10.85,;12.93,-11.62,;12.93,-13.17,;14.27,-13.94,;15.6,-13.17,;15.6,-11.62,;14.26,-10.85,;16.93,-10.83,;18.28,-11.61,;18.29,-13.16,;16.95,-13.94,;16.95,-15.48,;19.62,-10.83,;19.61,-9.29,;20.95,-11.6,;22.28,-10.82,;23.62,-11.6,;24.95,-10.84,;24.95,-9.3,;26.28,-8.53,;27.62,-9.3,;28.95,-8.53,;28.94,-7,;30.27,-6.23,;31.61,-7,;33.07,-6.51,;33.98,-7.76,;33.08,-9,;31.61,-8.54,;30.27,-9.3,;23.61,-8.53,;22.28,-9.3,)|
Show InChI InChI=1S/C25H26N2O6/c1-30-18-7-8-19-20(28)12-24(33-22(19)11-18)25(29)27-16-4-2-15(3-5-16)13-26-17-6-9-21-23(10-17)32-14-31-21/h6-12,15-16,26H,2-5,13-14H2,1H3,(H,27,29)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197147
PNG
(2-(4-benzo[1,3]dioxol-5-ylmethylpiperazine-1-carbo...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H22N2O6/c1-28-16-3-4-17-18(26)12-22(31-20(17)11-16)23(27)25-8-6-24(7-9-25)13-15-2-5-19-21(10-15)30-14-29-19/h2-5,10-12H,6-9,13-14H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197145
PNG
(7-methoxy-4-oxo-4H-chromene-2-carboxylic acid [2-(...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NCCC1CCCN1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C25H26N2O6/c1-30-18-5-6-19-20(28)13-24(33-22(19)12-18)25(29)26-9-8-17-3-2-10-27(17)14-16-4-7-21-23(11-16)32-15-31-21/h4-7,11-13,17H,2-3,8-10,14-15H2,1H3,(H,26,29)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197110
PNG
(7-methoxy-4-oxo-4H-chromene-2-carboxylic acid (1-b...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCCN(Cc2ccc3OCOc3c2)C1
Show InChI InChI=1S/C24H24N2O6/c1-29-17-5-6-18-19(27)11-23(32-21(18)10-17)24(28)25-16-3-2-8-26(13-16)12-15-4-7-20-22(9-15)31-14-30-20/h4-7,9-11,16H,2-3,8,12-14H2,1H3,(H,25,28)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair