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Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'linusson' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214034
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1
Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214034
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1
Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214024
PNG
((1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(t...)
Show SMILES COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)cc(C)c2c1
Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-7-6-19(26-2)12-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214036
PNG
((1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1
Show InChI InChI=1S/C27H30F2N4O2/c1-16-10-26(32-24-13-20(34-3)6-8-22(16)24)31-19-5-4-18(11-19)30-14-17-15-33(2)25-9-7-21(12-23(17)25)35-27(28)29/h6-10,12-13,15,18-19,27,30H,4-5,11,14H2,1-3H3,(H,31,32)/t18-,19-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214037
PNG
((1S,3S)-N1-(4-methylquinolin-2-yl)-N3-(thiophen-3-...)
Show SMILES Cc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
Show InChI InChI=1S/C21H25N3S/c1-15-11-21(24-20-8-3-2-7-19(15)20)23-18-6-4-5-17(12-18)22-13-16-9-10-25-14-16/h2-3,7-11,14,17-18,22H,4-6,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214052
PNG
((1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3...)
Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
Show InChI InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214035
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccccc34)nc2c1
Show InChI InChI=1S/C26H30N4O/c1-17-12-26(29-24-14-21(31-3)10-11-22(17)24)28-20-9-8-19(13-20)27-15-18-16-30(2)25-7-5-4-6-23(18)25/h4-7,10-12,14,16,19-20,27H,8-9,13,15H2,1-3H3,(H,28,29)/t19-,20-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214052
PNG
((1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3...)
Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
Show InChI InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214050
PNG
((1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-4-ylmethyl)-...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc4nsnc34)nc2c1
Show InChI InChI=1S/C24H27N5OS/c1-15-11-23(27-22-13-19(30-2)9-10-20(15)22)26-18-7-4-6-17(12-18)25-14-16-5-3-8-21-24(16)29-31-28-21/h3,5,8-11,13,17-18,25H,4,6-7,12,14H2,1-2H3,(H,26,27)/t17-,18-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214030
PNG
((1S,3S)-N1-(3,4-dichlorobenzyl)-N3-(7-methoxy-4-me...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc(Cl)c(Cl)c3)nc2c1
Show InChI InChI=1S/C24H27Cl2N3O/c1-15-10-24(29-23-13-19(30-2)7-8-20(15)23)28-18-5-3-4-17(12-18)27-14-16-6-9-21(25)22(26)11-16/h6-11,13,17-18,27H,3-5,12,14H2,1-2H3,(H,28,29)/t17-,18-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214068
PNG
(6-methoxy-4-methyl-N-(3-(thiophen-3-ylmethylamino)...)
Show SMILES COc1ccc2nc(NCCCNCc3ccsc3)cc(C)c2c1
Show InChI InChI=1S/C19H23N3OS/c1-14-10-19(22-18-5-4-16(23-2)11-17(14)18)21-8-3-7-20-12-15-6-9-24-13-15/h4-6,9-11,13,20H,3,7-8,12H2,1-2H3,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214046
PNG
((1S,3S)-N1-(3-(trifluoromethoxy)benzyl)-N3-(7-meth...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc(OC(F)(F)F)c3)nc2c1
Show InChI InChI=1S/C25H28F3N3O2/c1-16-11-24(31-23-14-20(32-2)9-10-22(16)23)30-19-7-4-6-18(13-19)29-15-17-5-3-8-21(12-17)33-25(26,27)28/h3,5,8-12,14,18-19,29H,4,6-7,13,15H2,1-2H3,(H,30,31)/t18-,19-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214061
PNG
((1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)-...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc4nsnc4c3)nc2c1
Show InChI InChI=1S/C24H27N5OS/c1-15-10-24(27-22-13-19(30-2)7-8-20(15)22)26-18-5-3-4-17(12-18)25-14-16-6-9-21-23(11-16)29-31-28-21/h6-11,13,17-18,25H,3-5,12,14H2,1-2H3,(H,26,27)/t17-,18-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214047
PNG
(3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamin...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4c(cccc34)C#N)nc2c1
Show InChI InChI=1S/C27H29N5O/c1-17-11-26(31-25-13-22(33-3)9-10-23(17)25)30-21-8-7-20(12-21)29-15-19-16-32(2)27-18(14-28)5-4-6-24(19)27/h4-6,9-11,13,16,20-21,29H,7-8,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214032
PNG
((1S,3S)-N1-(isoquinolin-4-ylmethyl)-N3-(7-methoxy-...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cncc4ccccc34)nc2c1
Show InChI InChI=1S/C27H30N4O/c1-18-12-27(31-26-14-23(32-2)10-11-24(18)26)30-22-8-5-7-21(13-22)29-17-20-16-28-15-19-6-3-4-9-25(19)20/h3-4,6,9-12,14-16,21-22,29H,5,7-8,13,17H2,1-2H3,(H,30,31)/t21-,22-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50422375
PNG
(CHEMBL116616)
Show SMILES CCc1cc(OCCc2ccc(cc2)C(N)=N)cc(OS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H24N2O4S/c1-2-17-14-20(28-13-12-18-8-10-19(11-9-18)23(24)25)16-21(15-17)29-30(26,27)22-6-4-3-5-7-22/h3-11,14-16H,2,12-13H2,1H3,(H3,24,25)
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antibodypedia
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 44: 3424-39 (2001)


BindingDB Entry DOI: 10.7270/Q2D21ZWN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214053
PNG
((1S,3S)-N1-(6-methoxyquinolin-2-yl)-N3-(thiophen-3...)
Show SMILES COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc2c1
Show InChI InChI=1S/C21H25N3OS/c1-25-19-6-7-20-16(11-19)5-8-21(24-20)23-18-4-2-3-17(12-18)22-13-15-9-10-26-14-15/h5-11,14,17-18,22H,2-4,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214049
PNG
((1S,3S)-N1-(6-fluoro-4-methoxyquinolin-2-yl)-N3-(t...)
Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccc(F)cc12
Show InChI InChI=1S/C21H24FN3OS/c1-26-20-11-21(25-19-6-5-15(22)9-18(19)20)24-17-4-2-3-16(10-17)23-12-14-7-8-27-13-14/h5-9,11,13,16-17,23H,2-4,10,12H2,1H3,(H,24,25)/t16-,17-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM55727
PNG
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)
PDB
MMDB

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n/an/a 26n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay


J Med Chem 59: 9409-9421 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00967
BindingDB Entry DOI: 10.7270/Q2HM5BFB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214048
PNG
((1S,3S)-N1-(2-bromo-5-methoxybenzyl)-N3-(7-methoxy...)
Show SMILES COc1ccc(Br)c(CN[C@H]2CCC[C@@H](C2)Nc2cc(C)c3ccc(OC)cc3n2)c1
Show InChI InChI=1S/C25H30BrN3O2/c1-16-11-25(29-24-14-21(31-3)7-9-22(16)24)28-19-6-4-5-18(13-19)27-15-17-12-20(30-2)8-10-23(17)26/h7-12,14,18-19,27H,4-6,13,15H2,1-3H3,(H,28,29)/t18-,19-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214055
PNG
(CHEMBL399244 | N4,N4-dimethyl-N2-((1S,3S)-3-(thiop...)
Show SMILES CN(C)c1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
Show InChI InChI=1S/C22H28N4S/c1-26(2)21-13-22(25-20-9-4-3-8-19(20)21)24-18-7-5-6-17(12-18)23-14-16-10-11-27-15-16/h3-4,8-11,13,15,17-18,23H,5-7,12,14H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214066
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4cccnc34)nc2c1
Show InChI InChI=1S/C25H29N5O/c1-16-11-24(29-22-13-20(31-3)8-9-21(16)22)28-19-7-6-18(12-19)27-14-17-15-30(2)23-5-4-10-26-25(17)23/h4-5,8-11,13,15,18-19,27H,6-7,12,14H2,1-3H3,(H,28,29)/t18-,19-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM55727
PNG
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)
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n/an/a 30n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay


J Med Chem 59: 9409-9421 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00967
BindingDB Entry DOI: 10.7270/Q2HM5BFB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214044
PNG
(3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamin...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4cc(ccc34)C#N)nc2c1
Show InChI InChI=1S/C27H29N5O/c1-17-10-27(31-25-13-22(33-3)7-9-23(17)25)30-21-6-5-20(12-21)29-15-19-16-32(2)26-11-18(14-28)4-8-24(19)26/h4,7-11,13,16,20-21,29H,5-6,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214045
PNG
((1S,2S,4R,6S)-N2-(6-methoxy-4-methylquinolin-2-yl)...)
Show SMILES COc1ccc2nc(N[C@H]3C[C@H]4C[C@H](NCc5ccsc5)[C@@H]3C4)cc(C)c2c1
Show InChI InChI=1S/C23H27N3OS/c1-14-7-23(25-20-4-3-17(27-2)11-18(14)20)26-22-10-16-8-19(22)21(9-16)24-12-15-5-6-28-13-15/h3-7,11,13,16,19,21-22,24H,8-10,12H2,1-2H3,(H,25,26)/t16-,19+,21+,22+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214036
PNG
((1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1
Show InChI InChI=1S/C27H30F2N4O2/c1-16-10-26(32-24-13-20(34-3)6-8-22(16)24)31-19-5-4-18(11-19)30-14-17-15-33(2)25-9-7-21(12-23(17)25)35-27(28)29/h6-10,12-13,15,18-19,27,30H,4-5,11,14H2,1-3H3,(H,31,32)/t18-,19-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214041
PNG
(3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamin...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(cc34)C#N)nc2c1
Show InChI InChI=1S/C27H29N5O/c1-17-10-27(31-25-13-22(33-3)7-8-23(17)25)30-21-6-5-20(12-21)29-15-19-16-32(2)26-9-4-18(14-28)11-24(19)26/h4,7-11,13,16,20-21,29H,5-6,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214023
PNG
((1S,3S)-N1-(5-methoxyquinolin-2-yl)-N3-(thiophen-3...)
Show SMILES COc1cccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc12
Show InChI InChI=1S/C21H25N3OS/c1-25-20-7-3-6-19-18(20)8-9-21(24-19)23-17-5-2-4-16(12-17)22-13-15-10-11-26-14-15/h3,6-11,14,16-17,22H,2,4-5,12-13H2,1H3,(H,23,24)/t16-,17-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214021
PNG
((1S,3S)-N1-(2-chloro-4-(methylsulfonyl)benzyl)-N3-...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc(cc3Cl)S(C)(=O)=O)nc2c1
Show InChI InChI=1S/C25H30ClN3O3S/c1-16-11-25(29-24-13-20(32-2)8-10-22(16)24)28-19-6-4-5-18(12-19)27-15-17-7-9-21(14-23(17)26)33(3,30)31/h7-11,13-14,18-19,27H,4-6,12,15H2,1-3H3,(H,28,29)/t18-,19-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214023
PNG
((1S,3S)-N1-(5-methoxyquinolin-2-yl)-N3-(thiophen-3...)
Show SMILES COc1cccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc12
Show InChI InChI=1S/C21H25N3OS/c1-25-20-7-3-6-19-18(20)8-9-21(24-19)23-17-5-2-4-16(12-17)22-13-15-10-11-26-14-15/h3,6-11,14,16-17,22H,2,4-5,12-13H2,1H3,(H,23,24)/t16-,17-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50422376
PNG
(CHEMBL116149)
Show SMILES COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C22H20Cl2N2O5S/c1-29-21-19(24)11-16(23)12-20(21)32(27,28)31-18-4-2-3-17(13-18)30-10-9-14-5-7-15(8-6-14)22(25)26/h2-8,11-13H,9-10H2,1H3,(H3,25,26)
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n/an/a 56n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 44: 3424-39 (2001)


BindingDB Entry DOI: 10.7270/Q2D21ZWN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214053
PNG
((1S,3S)-N1-(6-methoxyquinolin-2-yl)-N3-(thiophen-3...)
Show SMILES COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc2c1
Show InChI InChI=1S/C21H25N3OS/c1-25-19-6-7-20-16(11-19)5-8-21(24-20)23-18-4-2-3-17(12-18)22-13-15-9-10-26-14-15/h5-11,14,17-18,22H,2-4,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214038
PNG
(5-chloro-3-(((1S,3S)-3-(7-methoxy-4-methylquinolin...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cn(C(=O)N(C)C)c4ccc(Cl)cc34)nc2c1
Show InChI InChI=1S/C29H34ClN5O2/c1-18-12-28(33-26-15-23(37-4)9-10-24(18)26)32-22-7-5-6-21(14-22)31-16-19-17-35(29(36)34(2)3)27-11-8-20(30)13-25(19)27/h8-13,15,17,21-22,31H,5-7,14,16H2,1-4H3,(H,32,33)/t21-,22-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214037
PNG
((1S,3S)-N1-(4-methylquinolin-2-yl)-N3-(thiophen-3-...)
Show SMILES Cc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
Show InChI InChI=1S/C21H25N3S/c1-15-11-21(24-20-8-3-2-7-19(15)20)23-18-6-4-5-17(12-18)22-13-16-9-10-25-14-16/h2-3,7-11,14,17-18,22H,4-6,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214039
PNG
((1S,3S)-N1-((5-bromo-1-methyl-1H-indol-3-yl)methyl...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cn(C)c4ccc(Br)cc34)nc2c1
Show InChI InChI=1S/C27H31BrN4O/c1-17-11-27(31-25-14-22(33-3)8-9-23(17)25)30-21-6-4-5-20(13-21)29-15-18-16-32(2)26-10-7-19(28)12-24(18)26/h7-12,14,16,20-21,29H,4-6,13,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214040
PNG
((1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(t...)
Show SMILES COc1ccc2nc(N[C@H]3CC[C@@H](C3)NCc3ccsc3)cc(C)c2c1
Show InChI InChI=1S/C21H25N3OS/c1-14-9-21(24-20-6-5-18(25-2)11-19(14)20)23-17-4-3-16(10-17)22-12-15-7-8-26-13-15/h5-9,11,13,16-17,22H,3-4,10,12H2,1-2H3,(H,23,24)/t16-,17-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214025
PNG
((1S,3S)-N1-(quinolin-2-yl)-N3-(thiophen-3-ylmethyl...)
Show SMILES C(N[C@H]1CCC[C@@H](C1)Nc1ccc2ccccc2n1)c1ccsc1
Show InChI InChI=1S/C20H23N3S/c1-2-7-19-16(4-1)8-9-20(23-19)22-18-6-3-5-17(12-18)21-13-15-10-11-24-14-15/h1-2,4,7-11,14,17-18,21H,3,5-6,12-13H2,(H,22,23)/t17-,18-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214057
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4c3ccc3cccnc43)nc2c1
Show InChI InChI=1S/C29H31N5O/c1-18-13-27(33-26-15-23(35-3)9-11-24(18)26)32-22-8-7-21(14-22)31-16-20-17-34(2)29-25(20)10-6-19-5-4-12-30-28(19)29/h4-6,9-13,15,17,21-22,31H,7-8,14,16H2,1-3H3,(H,32,33)/t21-,22-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214065
PNG
((1S,3S)-N1-((5-(benzyloxy)-1-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OCc5ccccc5)cc34)nc2c1
Show InChI InChI=1S/C33H36N4O2/c1-22-15-33(36-31-18-27(38-3)11-13-29(22)31)35-26-10-9-25(16-26)34-19-24-20-37(2)32-14-12-28(17-30(24)32)39-21-23-7-5-4-6-8-23/h4-8,11-15,17-18,20,25-26,34H,9-10,16,19,21H2,1-3H3,(H,35,36)/t25-,26-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of mouse AChE


J Med Chem 56: 7615-24 (2013)


Article DOI: 10.1021/jm400990p
BindingDB Entry DOI: 10.7270/Q24M95Z3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214066
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4cccnc34)nc2c1
Show InChI InChI=1S/C25H29N5O/c1-16-11-24(29-22-13-20(31-3)8-9-21(16)22)28-19-7-6-18(12-19)27-14-17-15-30(2)23-5-4-10-26-25(17)23/h4-5,8-11,13,15,18-19,27H,6-7,12,14H2,1-3H3,(H,28,29)/t18-,19-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214035
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccccc34)nc2c1
Show InChI InChI=1S/C26H30N4O/c1-17-12-26(29-24-14-21(31-3)10-11-22(17)24)28-20-9-8-19(13-20)27-15-18-16-30(2)25-7-5-4-6-23(18)25/h4-7,10-12,14,16,19-20,27H,8-9,13,15H2,1-3H3,(H,28,29)/t19-,20-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214058
PNG
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(p...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cnccn3)nc2c1
Show InChI InChI=1S/C22H27N5O/c1-15-10-22(27-21-12-19(28-2)6-7-20(15)21)26-17-5-3-4-16(11-17)25-14-18-13-23-8-9-24-18/h6-10,12-13,16-17,25H,3-5,11,14H2,1-2H3,(H,26,27)/t16-,17-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214049
PNG
((1S,3S)-N1-(6-fluoro-4-methoxyquinolin-2-yl)-N3-(t...)
Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccc(F)cc12
Show InChI InChI=1S/C21H24FN3OS/c1-26-20-11-21(25-19-6-5-15(22)9-18(19)20)24-17-4-2-3-16(10-17)23-12-14-7-8-27-13-14/h5-9,11,13,16-17,23H,2-4,10,12H2,1H3,(H,24,25)/t16-,17-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214055
PNG
(CHEMBL399244 | N4,N4-dimethyl-N2-((1S,3S)-3-(thiop...)
Show SMILES CN(C)c1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
Show InChI InChI=1S/C22H28N4S/c1-26(2)21-13-22(25-20-9-4-3-8-19(20)21)24-18-7-5-6-17(12-18)23-14-16-10-11-27-15-16/h3-4,8-11,13,15,17-18,23H,5-7,12,14H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214063
PNG
(CHEMBL250728 | N-(3-(6-methoxy-4-methylquinolin-2-...)
Show SMILES COc1ccc2nc(NCCCNC(=O)c3ccsc3)cc(C)c2c1
Show InChI InChI=1S/C19H21N3O2S/c1-13-10-18(22-17-5-4-15(24-2)11-16(13)17)20-7-3-8-21-19(23)14-6-9-25-12-14/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 106n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214044
PNG
(3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamin...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4cc(ccc34)C#N)nc2c1
Show InChI InChI=1S/C27H29N5O/c1-17-10-27(31-25-13-22(33-3)7-9-23(17)25)30-21-6-5-20(12-21)29-15-19-16-32(2)26-11-18(14-28)4-8-24(19)26/h4,7-11,13,16,20-21,29H,5-6,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1
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n/an/a 118n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214033
PNG
((1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-me...)
Show SMILES COc1ccc2nc(N[C@H]3CC[C@@H](C3)N(C)Cc3ccsc3)cc(C)c2c1
Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(24-21-7-6-19(26-3)12-20(15)21)23-17-4-5-18(11-17)25(2)13-16-8-9-27-14-16/h6-10,12,14,17-18H,4-5,11,13H2,1-3H3,(H,23,24)/t17-,18-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214047
PNG
(3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamin...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4c(cccc34)C#N)nc2c1
Show InChI InChI=1S/C27H29N5O/c1-17-11-26(31-25-13-22(33-3)9-10-23(17)25)30-21-8-7-20(12-21)29-15-19-16-32(2)27-18(14-28)5-4-6-24(19)27/h4-6,9-11,13,16,20-21,29H,7-8,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1
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n/an/a 127n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50422368
PNG
(CHEMBL117266)
Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCCc2ccc(C(N)=N)c(O)c2)c1
Show InChI InChI=1S/C23H24N2O5S/c1-15-4-3-5-20(12-15)31(27,28)30-19-11-16(2)10-18(14-19)29-9-8-17-6-7-21(23(24)25)22(26)13-17/h3-7,10-14,26H,8-9H2,1-2H3,(H3,24,25)
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n/an/a 135n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 44: 3424-39 (2001)


BindingDB Entry DOI: 10.7270/Q2D21ZWN
More data for this
Ligand-Target Pair
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