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Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'muir' and Initial = 'ai'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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2.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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3.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412987
PNG
(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475894
PNG
(CHEMBL441855)
Show SMILES COc1cc(ccc1OCCN(C(C)C)C(C)C)N(C)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)18-19-34-27-17-16-26(20-28(27)33-6)30(5)29(32)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-17,20-22H,18-19H2,1-6H3
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475919
PNG
(CHEMBL386050)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1C(=O)c2ccc(Nc3ccccc3)cc2C1=O
Show InChI InChI=1S/C27H27N3O4/c1-33-25-18-21(10-12-24(25)34-16-15-29-13-5-6-14-29)30-26(31)22-11-9-20(17-23(22)27(30)32)28-19-7-3-2-4-8-19/h2-4,7-12,17-18,28H,5-6,13-16H2,1H3
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412988
PNG
(CHEMBL477008)
Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475943
PNG
(CHEMBL386925)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(ccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-32-26-18-22(10-12-25(26)33-16-15-29-13-5-6-14-29)30-19-28-24-17-21(9-11-23(24)27(30)31)20-7-3-2-4-8-20/h2-4,7-12,17-19H,5-6,13-16H2,1H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475927
PNG
(CHEMBL215508)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1C(=O)c2ccc(Oc3ccccc3)cc2C1=O
Show InChI InChI=1S/C27H26N2O5/c1-32-25-17-19(9-12-24(25)33-16-15-28-13-5-6-14-28)29-26(30)22-11-10-21(18-23(22)27(29)31)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422930
PNG
(CHEMBL214276)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3S/c1-30-22-15-19(9-10-21(22)31-14-13-27-11-5-6-12-27)28-17-26-20-16-23(32-24(20)25(28)29)18-7-3-2-4-8-18/h2-4,7-10,15-17H,5-6,11-14H2,1H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475917
PNG
(CHEMBL425263)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N(C)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-28(27(30)23-12-10-22(11-13-23)21-8-4-3-5-9-21)24-14-15-25(26(20-24)31-2)32-19-18-29-16-6-7-17-29/h3-5,8-15,20H,6-7,16-19H2,1-2H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475903
PNG
(CHEMBL212890)
Show SMILES CCN(CC)CCOc1ccc(cc1OC)N(C)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H32N2O3/c1-5-29(6-2)18-19-32-25-17-16-24(20-26(25)31-4)28(3)27(30)23-14-12-22(13-15-23)21-10-8-7-9-11-21/h7-17,20H,5-6,18-19H2,1-4H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475902
PNG
(CHEMBL2110360 | SB-568849)
Show SMILES CCN(CC)CCOc1ccc(cc1OC)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N2O3/c1-5-33(6-2)17-18-36-25-16-15-24(19-26(25)35-4)32(3)27(34)22-9-7-20(8-10-22)21-11-13-23(14-12-21)28(29,30)31/h7-16,19H,5-6,17-18H2,1-4H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475930
PNG
(CHEMBL384489)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1nnc2cc(ccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C26H26N4O3/c1-32-25-18-21(10-12-24(25)33-16-15-29-13-5-6-14-29)30-26(31)22-11-9-20(17-23(22)27-28-30)19-7-3-2-4-8-19/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475910
PNG
(CHEMBL214417)
Show SMILES CC(C)N(CCOc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)c(C)c1)C(C)C
Show InChI InChI=1S/C28H34N2O2/c1-20(2)30(21(3)4)17-18-32-26-15-16-27(22(5)19-26)29-28(31)25-13-11-24(12-14-25)23-9-7-6-8-10-23/h6-16,19-21H,17-18H2,1-5H3,(H,29,31)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475918
PNG
(CHEMBL212032)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C28H40N2O3/c1-20(2)30(21(3)4)17-18-33-26-16-15-25(19-27(26)32-5)29-28(31)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h11-16,19-22H,6-10,17-18H2,1-5H3,(H,29,31)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211167
PNG
(CHEMBL213255 | biphenyl-4-carboxylic acid [3-metho...)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H28N2O3/c1-30-25-19-23(13-14-24(25)31-18-17-28-15-5-6-16-28)27-26(29)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-14,19H,5-6,15-18H2,1H3,(H,27,29)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475931
PNG
(CHEMBL217210)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1C(=O)c2ccc(Sc3ccccc3)cc2C1=O
Show InChI InChI=1S/C27H26N2O4S/c1-32-25-17-19(9-12-24(25)33-16-15-28-13-5-6-14-28)29-26(30)22-11-10-21(18-23(22)27(29)31)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475895
PNG
(CHEMBL385254)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C28H34N2O3/c1-20(2)30(21(3)4)17-18-33-26-16-15-25(19-27(26)32-5)29-28(31)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-16,19-21H,17-18H2,1-5H3,(H,29,31)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475916
PNG
(CHEMBL214715)
Show SMILES CCN(CC)CCOc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1C(C)=O
Show InChI InChI=1S/C27H30N2O3/c1-4-29(5-2)17-18-32-26-16-15-24(19-25(26)20(3)30)28-27(31)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h6-16,19H,4-5,17-18H2,1-3H3,(H,28,31)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475885
PNG
(CHEMBL214968)
Show SMILES CCN(CC)CCOc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1OC
Show InChI InChI=1S/C26H30N2O3/c1-4-28(5-2)17-18-31-24-16-15-23(19-25(24)30-3)27-26(29)22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-16,19H,4-5,17-18H2,1-3H3,(H,27,29)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475904
PNG
(CHEMBL213767)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C27H30N2O3/c1-31-26-20-24(14-15-25(26)32-19-18-29-16-6-3-7-17-29)28-27(30)23-12-10-22(11-13-23)21-8-4-2-5-9-21/h2,4-5,8-15,20H,3,6-7,16-19H2,1H3,(H,28,30)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475942
PNG
(CHEMBL214081)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1nnc2ccc(Oc3ccccc3)cc2c1=O
Show InChI InChI=1S/C26H26N4O4/c1-32-25-17-19(9-12-24(25)33-16-15-29-13-5-6-14-29)30-26(31)22-18-21(10-11-23(22)27-28-30)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475886
PNG
(CHEMBL213370)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2C)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C29H36N2O3/c1-20(2)31(21(3)4)17-18-34-27-16-15-25(19-28(27)33-6)30-29(32)24-13-11-23(12-14-24)26-10-8-7-9-22(26)5/h7-16,19-21H,17-18H2,1-6H3,(H,30,32)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150708
PNG
(4-Benzyl-N-[4-(2-diisopropylamino-ethoxy)-3-methox...)
Show SMILES COc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)17-18-34-27-16-15-26(20-28(27)33-5)30-29(32)25-13-11-24(12-14-25)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,30,32)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475936
PNG
(CHEMBL383971)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OC[C@@H]1CCCN1C
Show InChI InChI=1S/C26H34N2O3/c1-28-16-6-9-23(28)18-31-24-15-14-22(17-25(24)30-2)27-26(29)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-15,17,19,23H,3-9,16,18H2,1-2H3,(H,27,29)/t23-/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475914
PNG
(CHEMBL214494)
Show SMILES CCN(CC)CCOc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1CC
Show InChI InChI=1S/C27H32N2O2/c1-4-21-20-25(16-17-26(21)31-19-18-29(5-2)6-3)28-27(30)24-14-12-23(13-15-24)22-10-8-7-9-11-22/h7-17,20H,4-6,18-19H2,1-3H3,(H,28,30)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475893
PNG
(CHEMBL215493)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN(C)C
Show InChI InChI=1S/C24H26N2O3/c1-26(2)15-16-29-22-14-13-21(17-23(22)28-3)25-24(27)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,25,27)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475884
PNG
(CHEMBL438966)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN(C)Cc1ccccc1
Show InChI InChI=1S/C30H30N2O3/c1-32(22-23-9-5-3-6-10-23)19-20-35-28-18-17-27(21-29(28)34-2)31-30(33)26-15-13-25(14-16-26)24-11-7-4-8-12-24/h3-18,21H,19-20,22H2,1-2H3,(H,31,33)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475944
PNG
(CHEMBL212487)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OC12CCN(C1)CCC2
Show InChI InChI=1S/C27H34N2O3/c1-31-25-18-23(12-13-24(25)32-27-14-5-16-29(19-27)17-15-27)28-26(30)22-10-8-21(9-11-22)20-6-3-2-4-7-20/h8-13,18,20H,2-7,14-17,19H2,1H3,(H,28,30)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475924
PNG
(CHEMBL215261)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(Oc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C27H27N3O4/c1-32-26-17-20(9-12-25(26)33-16-15-29-13-5-6-14-29)30-19-28-24-18-22(10-11-23(24)27(30)31)34-21-7-3-2-4-8-21/h2-4,7-12,17-19H,5-6,13-16H2,1H3
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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52n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475897
PNG
(CHEMBL426147)
Show SMILES CC(C)N(CCOc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)C(C)C
Show InChI InChI=1S/C27H32N2O2/c1-20(2)29(21(3)4)18-19-31-26-16-14-25(15-17-26)28-27(30)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-17,20-21H,18-19H2,1-4H3,(H,28,30)
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475908
PNG
(CHEMBL213386)
Show SMILES CC(C)N(CCOc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1C)C(C)C
Show InChI InChI=1S/C28H34N2O2/c1-20(2)30(21(3)4)17-18-32-27-16-15-26(19-22(27)5)29-28(31)25-13-11-24(12-14-25)23-9-7-6-8-10-23/h6-16,19-21H,17-18H2,1-5H3,(H,29,31)
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475922
PNG
(CHEMBL218030)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OC1CCN(C)C1
Show InChI InChI=1S/C25H32N2O3/c1-27-15-14-22(17-27)30-23-13-12-21(16-24(23)29-2)26-25(28)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-13,16,18,22H,3-7,14-15,17H2,1-2H3,(H,26,28)
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412988
PNG
(CHEMBL477008)
Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)
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65n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475915
PNG
(CHEMBL385253)
Show SMILES COc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C28H34N2O4/c1-20(2)30(21(3)4)16-17-33-26-15-14-23(19-27(26)32-5)29-28(31)22-10-9-13-25(18-22)34-24-11-7-6-8-12-24/h6-15,18-21H,16-17H2,1-5H3,(H,29,31)
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475899
PNG
(CHEMBL213922)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C29H33F3N2O3/c1-19(2)34(20(3)4)16-17-37-26-15-14-25(18-27(26)36-5)33-28(35)23-8-6-21(7-9-23)22-10-12-24(13-11-22)29(30,31)32/h6-15,18-20H,16-17H2,1-5H3,(H,33,35)
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475900
PNG
(CHEMBL386600)
Show SMILES COc1cc(ccc1OCCN(C(C)C)C(C)C)N(C)C(=O)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C30H38N2O3/c1-22(2)32(23(3)4)18-19-35-28-17-16-27(21-29(28)34-6)31(5)30(33)26-14-12-25(13-15-26)20-24-10-8-7-9-11-24/h7-17,21-23H,18-20H2,1-6H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475938
PNG
(CHEMBL212488)
Show SMILES CCN1CCN(CC1)Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)cc1OC
Show InChI InChI=1S/C26H35N3O3/c1-3-28-15-17-29(18-16-28)32-24-14-13-23(19-25(24)31-2)27-26(30)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h9-14,19-20H,3-8,15-18H2,1-2H3,(H,27,30)
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475932
PNG
(CHEMBL385054)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OC[C@H]1CCCN1C
Show InChI InChI=1S/C26H34N2O3/c1-28-16-6-9-23(28)18-31-24-15-14-22(17-25(24)30-2)27-26(29)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-15,17,19,23H,3-9,16,18H2,1-2H3,(H,27,29)/t23-/m1/s1
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475939
PNG
(CHEMBL216054)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1nnc2cc(Oc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C26H26N4O4/c1-32-25-17-19(9-12-24(25)33-16-15-29-13-5-6-14-29)30-26(31)22-11-10-21(18-23(22)27-28-30)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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98n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475909
PNG
(CHEMBL213198)
Show SMILES COc1cc(ccc1OCCN(C(C)C)C(C)C)N(C)C(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C29H42N2O3/c1-21(2)31(22(3)4)18-19-34-27-17-16-26(20-28(27)33-6)30(5)29(32)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h12-17,20-23H,7-11,18-19H2,1-6H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475920
PNG
(CHEMBL438637)
Show SMILES COc1cc(ccc1OCCN(C(C)C)C(C)C)N1C(=O)c2ccc(cc2C1=O)-c1ccccc1
Show InChI InChI=1S/C29H32N2O4/c1-19(2)30(20(3)4)15-16-35-26-14-12-23(18-27(26)34-5)31-28(32)24-13-11-22(17-25(24)29(31)33)21-9-7-6-8-10-21/h6-14,17-20H,15-16H2,1-5H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475907
PNG
(CHEMBL212344)
Show SMILES COc1cc(NC(=O)c2ccc(cc2C)-c2ccccc2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C29H36N2O3/c1-20(2)31(21(3)4)16-17-34-27-15-13-25(19-28(27)33-6)30-29(32)26-14-12-24(18-22(26)5)23-10-8-7-9-11-23/h7-15,18-21H,16-17H2,1-6H3,(H,30,32)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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155n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50475895
PNG
(CHEMBL385254)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C28H34N2O3/c1-20(2)30(21(3)4)17-18-33-26-16-15-25(19-27(26)32-5)29-28(31)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-16,19-21H,17-18H2,1-5H3,(H,29,31)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
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