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Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'grabowski' and Initial = 'jf'   
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))
BDBM50331198
PNG
(1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]ind...)
Show SMILES CSc1ccc(cc1)-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1
Show InChI InChI=1S/C24H23N3OS/c1-26-22-9-11-25-15-21(22)20-8-5-18(14-23(20)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331199
PNG
(4-(4-methoxyphenyl)-1-(5-methyl-2,3,4,5-tetrahydro...)
Show SMILES COc1ccc(cc1)-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1
Show InChI InChI=1S/C24H23N3O2/c1-26-22-9-11-25-15-21(22)20-8-5-18(14-23(20)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(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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2.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(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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2.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331201
PNG
(4-(4-chlorophenyl)-1-(5-methyl-2,3,4,5-tetrahydro-...)
Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O/c1-26-21-8-10-25-14-20(21)19-7-6-18(13-22(19)26)27-11-9-16(12-23(27)28)15-2-4-17(24)5-3-15/h2-7,9,11-13,25H,8,10,14H2,1H3
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2.70n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331251
PNG
((R)-4-(benzyloxy)-1-(1-(2-(2-(hydroxymethyl)pyrrol...)
Show SMILES OC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C26H28N4O3/c31-18-23-7-4-11-28(23)13-14-30-25-9-8-22(15-21(25)17-27-30)29-12-10-24(16-26(29)32)33-19-20-5-2-1-3-6-20/h1-3,5-6,8-10,12,15-17,23,31H,4,7,11,13-14,18-19H2/t23-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331212
PNG
(4-(benzyloxy)-1-(2-(2-hydroxyethyl)-5-methyl-2,3,4...)
Show SMILES Cn1c2CCN(CCO)Cc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C26H27N3O3/c1-27-24-10-11-28(13-14-30)17-23(24)22-8-7-20(15-25(22)27)29-12-9-21(16-26(29)31)32-18-19-5-3-2-4-6-19/h2-9,12,15-16,30H,10-11,13-14,17-18H2,1H3
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3.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331187
PNG
(4-(benzyloxy)-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3CNCCc3[nH]c2c1
Show InChI InChI=1S/C23H21N3O2/c27-23-13-18(28-15-16-4-2-1-3-5-16)9-11-26(23)17-6-7-19-20-14-24-10-8-21(20)25-22(19)12-17/h1-7,9,11-13,24-25H,8,10,14-15H2
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3.80n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331209
PNG
(4-(4-chlorobenzyloxy)-1-(5-methyl-2,3,4,5-tetrahyd...)
Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C24H22ClN3O2/c1-27-22-8-10-26-14-21(22)20-7-6-18(12-23(20)27)28-11-9-19(13-24(28)29)30-15-16-2-4-17(25)5-3-16/h2-7,9,11-13,26H,8,10,14-15H2,1H3
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4.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331200
PNG
(1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]ind...)
Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N3O/c1-29-21-8-10-28-14-20(21)19-7-6-18(13-22(19)29)30-11-9-16(12-23(30)31)15-2-4-17(5-3-15)24(25,26)27/h2-7,9,11-13,28H,8,10,14H2,1H3
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4.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331242
PNG
(2-(4-chloro-2-fluorophenyl)-5-(1-(2-(pyrrolidin-1-...)
Show SMILES Fc1cc(Cl)ccc1-c1cc2c(ccn(-c3ccc4n(CCN5CCCC5)ncc4c3)c2=O)o1
Show InChI InChI=1S/C26H22ClFN4O2/c27-18-3-5-20(22(28)14-18)25-15-21-24(34-25)7-10-31(26(21)33)19-4-6-23-17(13-19)16-29-32(23)12-11-30-8-1-2-9-30/h3-7,10,13-16H,1-2,8-9,11-12H2
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4.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331186
PNG
(4-(benzyloxy)-1-(2,5-dimethyl-2,3,4,5-tetrahydro-1...)
Show SMILES CN1CCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H25N3O2/c1-26-12-11-23-22(16-26)21-9-8-19(14-24(21)27(23)2)28-13-10-20(15-25(28)29)30-17-18-6-4-3-5-7-18/h3-10,13-15H,11-12,16-17H2,1-2H3
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4.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113660
PNG
(US8637501, 64)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)N1CCN(CCc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C25H29ClN4O/c1-28-23-3-2-11-27-16-22(23)21-9-8-20(15-24(21)28)30-14-13-29(17-25(30)31)12-10-18-4-6-19(26)7-5-18/h4-9,15,27H,2-3,10-14,16-17H2,1H3
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US Patent
4.60 -47.6n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113617
PNG
(US8637501, 21)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H25N3O2/c1-27-23-8-5-12-26-16-22(23)21-10-9-19(14-24(21)27)28-13-11-20(15-25(28)29)30-17-18-6-3-2-4-7-18/h2-4,6-7,9-11,13-15,26H,5,8,12,16-17H2,1H3
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US Patent
4.70 -47.5n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331245
PNG
(4-(benzyloxy)-1-(1-(2-(dimethylamino)ethyl)-1H-ind...)
Show SMILES CN(C)CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C23H24N4O2/c1-25(2)12-13-27-22-9-8-20(14-19(22)16-24-27)26-11-10-21(15-23(26)28)29-17-18-6-4-3-5-7-18/h3-11,14-16H,12-13,17H2,1-2H3
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4.70n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113619
PNG
(US8637501, 23)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O/c1-30-21-3-2-9-28-14-19(21)18-6-5-17(12-22(18)30)31-10-8-15(11-23(31)32)20-7-4-16(13-29-20)24(25,26)27/h4-8,10-13,28H,2-3,9,14H2,1H3
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US Patent
4.70 -47.5n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331234
PNG
((S)-4-(benzyloxy)-1-(1-(2-(3-hydroxypyrrolidin-1-y...)
Show SMILES O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r|
Show InChI InChI=1S/C25H26N4O3/c30-22-8-10-27(17-22)12-13-29-24-7-6-21(14-20(24)16-26-29)28-11-9-23(15-25(28)31)32-18-19-4-2-1-3-5-19/h1-7,9,11,14-16,22,30H,8,10,12-13,17-18H2/t22-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331185
PNG
(4-(benzyloxy)-1-(9-methyl-2,3,4,9-tetrahydro-1H-py...)
Show SMILES Cn1c2CNCCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H23N3O2/c1-26-22-13-18(7-8-20(22)21-9-11-25-15-23(21)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17/h2-8,10,12-14,25H,9,11,15-16H2,1H3
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4.90n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113628
PNG
(US8637501, 32)
Show SMILES CSc1ccc(cc1)-c1ccn(-c2ccc3c4CNCCCc4n(C)c3c2)c(=O)c1
Show InChI InChI=1S/C25H25N3OS/c1-27-23-4-3-12-26-16-22(23)21-10-7-19(15-24(21)27)28-13-11-18(14-25(28)29)17-5-8-20(30-2)9-6-17/h5-11,13-15,26H,3-4,12,16H2,1-2H3
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4.90 -47.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113625
PNG
(US8637501, 29)
Show SMILES CN1CCCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C26H27N3O2/c1-27-13-6-9-24-23(17-27)22-11-10-20(15-25(22)28(24)2)29-14-12-21(16-26(29)30)31-18-19-7-4-3-5-8-19/h3-5,7-8,10-12,14-16H,6,9,13,17-18H2,1-2H3
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5 -47.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113659
PNG
(US8637501, 63)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cn2)cc1=O
Show InChI InChI=1S/C24H23ClN4O2/c1-28-22-3-2-9-26-14-21(22)20-7-6-18(11-23(20)28)29-10-8-19(12-24(29)30)31-15-17-5-4-16(25)13-27-17/h4-8,10-13,26H,2-3,9,14-15H2,1H3
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5 -47.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113626
PNG
(US8637501, 30)
Show SMILES CCN1CCCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C27H29N3O2/c1-3-29-14-7-10-25-24(18-29)23-12-11-21(16-26(23)28(25)2)30-15-13-22(17-27(30)31)32-19-20-8-5-4-6-9-20/h4-6,8-9,11-13,15-17H,3,7,10,14,18-19H2,1-2H3
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5 -47.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331236
PNG
(2-(4-chlorophenyl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES Clc1ccc(cc1)-c1cc2c(ccn(-c3ccc4n(CCN5CCCC5)ncc4c3)c2=O)o1
Show InChI InChI=1S/C26H23ClN4O2/c27-20-5-3-18(4-6-20)25-16-22-24(33-25)9-12-30(26(22)32)21-7-8-23-19(15-21)17-28-31(23)14-13-29-10-1-2-11-29/h3-9,12,15-17H,1-2,10-11,13-14H2
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5.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331184
PNG
(4-(benzyloxy)-1-(2,9-dimethyl-2,3,4,9-tetrahydro-1...)
Show SMILES CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H25N3O2/c1-26-12-11-22-21-9-8-19(14-23(21)27(2)24(22)16-26)28-13-10-20(15-25(28)29)30-17-18-6-4-3-5-7-18/h3-10,13-15H,11-12,16-17H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113623
PNG
(US8637501, 27)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O/c1-30-20-3-2-9-28-14-19(20)18-6-5-17(12-21(18)30)31-10-8-15(11-23(31)32)16-4-7-22(29-13-16)24(25,26)27/h4-8,10-13,28H,2-3,9,14H2,1H3
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US Patent
5.30 -47.2n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331196
PNG
(4-(4-chlorophenyl)-1-(2,9-dimethyl-2,3,4,9-tetrahy...)
Show SMILES CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(cc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN3O/c1-26-11-10-21-20-8-7-19(14-22(20)27(2)23(21)15-26)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113631
PNG
(US8637501, 35)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3CNCCCc3[nH]c2c1
Show InChI InChI=1S/C24H23N3O2/c28-24-14-19(29-16-17-5-2-1-3-6-17)10-12-27(24)18-8-9-20-21-15-25-11-4-7-22(21)26-23(20)13-18/h1-3,5-6,8-10,12-14,25-26H,4,7,11,15-16H2
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5.80 -47.0n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113709
PNG
(US8637501, 113)
Show SMILES Cn1c2CCCNCc2c2ccc(nc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C24H23ClN4O2/c1-28-21-3-2-11-26-14-20(21)19-8-9-22(27-24(19)28)29-12-10-18(13-23(29)30)31-15-16-4-6-17(25)7-5-16/h4-10,12-13,26H,2-3,11,14-15H2,1H3
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5.90 -47.0n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113603
PNG
(US8637501, 7)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3CCNCCc3[nH]c2c1
Show InChI InChI=1S/C24H23N3O2/c28-24-15-19(29-16-17-4-2-1-3-5-17)10-13-27(24)18-6-7-20-21-8-11-25-12-9-22(21)26-23(20)14-18/h1-7,10,13-15,25-26H,8-9,11-12,16H2
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6 -46.9n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113699
PNG
(US8637501, 103)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cc2)cc1=O
Show InChI InChI=1S/C25H24FN3O2/c1-28-23-3-2-11-27-15-22(23)21-9-8-19(13-24(21)28)29-12-10-20(14-25(29)30)31-16-17-4-6-18(26)7-5-17/h4-10,12-14,27H,2-3,11,15-16H2,1H3
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6 -46.9n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113622
PNG
(US8637501, 26)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O/c1-30-22-3-2-11-29-15-21(22)20-9-8-19(14-23(20)30)31-12-10-17(13-24(31)32)16-4-6-18(7-5-16)25(26,27)28/h4-10,12-14,29H,2-3,11,15H2,1H3
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US Patent
6.10 -46.9n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331239
PNG
(2-(4-fluorophenyl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES Fc1ccc(cc1)-c1cc2c(ccn(-c3ccc4n(CCN5CCCC5)ncc4c3)c2=O)o1
Show InChI InChI=1S/C26H23FN4O2/c27-20-5-3-18(4-6-20)25-16-22-24(33-25)9-12-30(26(22)32)21-7-8-23-19(15-21)17-28-31(23)14-13-29-10-1-2-11-29/h3-9,12,15-17H,1-2,10-11,13-14H2
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6.10n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113686
PNG
(US8637501, 90)
Show SMILES Cn1c2CCCNCc2c2ccc(nc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H24N4O2/c1-27-21-8-5-12-25-15-20(21)19-9-10-22(26-24(19)27)28-13-11-18(14-23(28)29)30-16-17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,25H,5,8,12,15-16H2,1H3
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6.40 -46.8n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113620
PNG
(US8637501, 24)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(nc2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C25H23F3N4O2/c1-31-21-3-2-9-29-14-20(21)19-6-5-17(11-22(19)31)32-10-8-18(12-24(32)33)34-15-16-4-7-23(30-13-16)25(26,27)28/h4-8,10-13,29H,2-3,9,14-15H2,1H3
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6.40 -46.8n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331210
PNG
(1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]ind...)
Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(cc2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C25H22F3N3O2/c1-30-22-8-10-29-14-21(22)20-7-6-18(12-23(20)30)31-11-9-19(13-24(31)32)33-15-16-2-4-17(5-3-16)25(26,27)28/h2-7,9,11-13,29H,8,10,14-15H2,1H3
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6.70n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113683
PNG
(US8637501, 87)
Show SMILES CCN1CCc2c(CC1)c1ccc(nc1n2C)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C26H28N4O2/c1-3-29-14-12-21-22-9-10-24(27-26(22)28(2)23(21)13-15-29)30-16-11-20(17-25(30)31)32-18-19-7-5-4-6-8-19/h4-11,16-17H,3,12-15,18H2,1-2H3
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6.90 -46.6n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331206
PNG
(4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-2,3,4,5-t...)
Show SMILES COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1
Show InChI InChI=1S/C24H22ClN3O2/c1-27-21-7-9-26-14-20(21)19-6-4-17(13-22(19)27)28-10-8-15(11-24(28)29)18-5-3-16(25)12-23(18)30-2/h3-6,8,10-13,26H,7,9,14H2,1-2H3
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7n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113600
PNG
(US8637501, 4)
Show SMILES Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O/c1-30-20-7-10-28-9-6-19(20)18-4-3-17(13-21(18)30)31-11-8-15(12-23(31)32)16-2-5-22(29-14-16)24(25,26)27/h2-5,8,11-14,28H,6-7,9-10H2,1H3
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US Patent
7.10 -46.5n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331197
PNG
(4-(2,4-dichlorophenyl)-1-(5-methyl-2,3,4,5-tetrahy...)
Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl2N3O/c1-27-21-6-8-26-13-19(21)18-5-3-16(12-22(18)27)28-9-7-14(10-23(28)29)17-4-2-15(24)11-20(17)25/h2-5,7,9-12,26H,6,8,13H2,1H3
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7.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113613
PNG
(US8637501, 17)
Show SMILES CC(C)N1CCc2[nH]c3cc(ccc3c2CC1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C27H29N3O2/c1-19(2)29-13-11-24-23-9-8-21(16-26(23)28-25(24)12-14-29)30-15-10-22(17-27(30)31)32-18-20-6-4-3-5-7-20/h3-10,15-17,19,28H,11-14,18H2,1-2H3
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US Patent
7.20 -46.5n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113636
PNG
(US8637501, 40)
Show SMILES Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
Show InChI InChI=1S/C24H23FN4O2/c1-28-22-7-10-26-9-6-21(22)20-5-4-18(12-23(20)28)29-11-8-19(13-24(29)30)31-15-17-3-2-16(25)14-27-17/h2-5,8,11-14,26H,6-7,9-10,15H2,1H3
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US Patent
7.20 -46.5n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113662
PNG
(US8637501, 66)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cc2F)cc1=O
Show InChI InChI=1S/C25H23F2N3O2/c1-29-23-3-2-9-28-14-21(23)20-7-6-18(12-24(20)29)30-10-8-19(13-25(30)31)32-15-16-4-5-17(26)11-22(16)27/h4-8,10-13,28H,2-3,9,14-15H2,1H3
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US Patent
7.30 -46.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113653
PNG
(US8637501, 57)
Show SMILES Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cc2)cc1=O
Show InChI InChI=1S/C25H24FN3O2/c1-28-23-9-12-27-11-8-22(23)21-7-6-19(14-24(21)28)29-13-10-20(15-25(29)30)31-16-17-2-4-18(26)5-3-17/h2-7,10,13-15,27H,8-9,11-12,16H2,1H3
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US Patent
7.30 -46.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113646
PNG
(US8637501, 50)
Show SMILES Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cn2)cc1=O
Show InChI InChI=1S/C24H23ClN4O2/c1-28-22-7-10-26-9-6-21(22)20-5-4-18(12-23(20)28)29-11-8-19(13-24(29)30)31-15-17-3-2-16(25)14-27-17/h2-5,8,11-14,26H,6-7,9-10,15H2,1H3
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US Patent
7.40 -46.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113668
PNG
(US8637501, 72)
Show SMILES Cn1c2CCCN(Cc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cn2)cc1=O)C1CCC1
Show InChI InChI=1S/C28H29FN4O2/c1-31-26-6-3-12-32(21-4-2-5-21)17-25(26)24-10-9-22(14-27(24)31)33-13-11-23(15-28(33)34)35-18-20-8-7-19(29)16-30-20/h7-11,13-16,21H,2-6,12,17-18H2,1H3
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US Patent
7.5 -46.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113701
PNG
(US8637501, 105)
Show SMILES Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C25H24ClN3O2/c1-28-23-3-2-11-27-15-22(23)21-9-8-19(13-24(21)28)29-12-10-20(14-25(29)30)31-16-17-4-6-18(26)7-5-17/h4-10,12-14,27H,2-3,11,15-16H2,1H3
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US Patent
7.60 -46.3n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331203
PNG
(4-(4-chlorobenzyloxy)-1-(2,9-dimethyl-2,3,4,9-tetr...)
Show SMILES CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C25H24ClN3O2/c1-27-11-10-22-21-8-7-19(13-23(21)28(2)24(22)15-27)29-12-9-20(14-25(29)30)31-16-17-3-5-18(26)6-4-17/h3-9,12-14H,10-11,15-16H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50331205
PNG
(4-(4-methoxy-2-methylphenyl)-1-(5-methyl-2,3,4,5-t...)
Show SMILES COc1ccc(c(C)c1)-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1
Show InChI InChI=1S/C25H25N3O2/c1-16-12-19(30-3)5-7-20(16)17-9-11-28(25(29)13-17)18-4-6-21-22-15-26-10-8-23(22)27(2)24(21)14-18/h4-7,9,11-14,26H,8,10,15H2,1-3H3
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7.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113691
PNG
(US8637501, 95)
Show SMILES Cn1c2CCCNCc2c2ccc(nc12)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O/c1-30-20-3-2-11-28-14-19(20)18-8-9-21(29-23(18)30)31-12-10-16(13-22(31)32)15-4-6-17(7-5-15)24(25,26)27/h4-10,12-13,28H,2-3,11,14H2,1H3
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US Patent
7.80 -46.3n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM113648
PNG
(US8637501, 52)
Show SMILES Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cc2F)cc1=O
Show InChI InChI=1S/C25H23F2N3O2/c1-29-23-7-10-28-9-6-21(23)20-5-4-18(13-24(20)29)30-11-8-19(14-25(30)31)32-15-16-2-3-17(26)12-22(16)27/h2-5,8,11-14,28H,6-7,9-10,15H2,1H3
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US Patent
7.80 -46.3n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8637501 (2014)


BindingDB Entry DOI: 10.7270/Q2B27SZ4
More data for this
Ligand-Target Pair
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