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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'cherfils' and Initial = 'v'   
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))
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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25n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150715
PNG
(4''-Fluoro-biphenyl-4-carboxylic acid (6-dimethyla...)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(F)cc3)ccc2C1
Show InChI InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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38n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211174
PNG
(CHEMBL246588 | N-(3-methoxy-4-(2-(pyrrolidin-1-yl)...)
Show SMILES COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H28N2O4/c1-30-25-19-21(11-14-24(25)31-18-17-28-15-5-6-16-28)27-26(29)20-9-12-23(13-10-20)32-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H,27,29)
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82n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211173
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H29N3O4/c1-31-25-19-21(11-14-24(25)32-18-17-29-15-5-6-16-29)28-26(30)27-20-9-12-23(13-10-20)33-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,30)
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101n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211166
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
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164n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211160
PNG
((Z)-5-(4-((3-hydroxypyrrolidin-1-yl)methyl)benzyli...)
Show SMILES OC1CCN(Cc2ccc(\C=C3/NC(=O)N(C3=O)c3ccc(Oc4ccccc4)cc3)cc2)C1 |w:1.0|
Show InChI InChI=1S/C27H25N3O4/c31-22-14-15-29(18-22)17-20-8-6-19(7-9-20)16-25-26(32)30(27(33)28-25)21-10-12-24(13-11-21)34-23-4-2-1-3-5-23/h1-13,16,22,31H,14-15,17-18H2,(H,28,33)/b25-16-
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176n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211164
PNG
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18-
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220n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211172
PNG
(1-biphenyl-4-yl-3-[3-methoxy-4-(2-pyrrolidin-1-yl-...)
Show SMILES COc1cc(NC(=O)Nc2ccc(cc2)-c2ccccc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H29N3O3/c1-31-25-19-23(13-14-24(25)32-18-17-29-15-5-6-16-29)28-26(30)27-22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,30)
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260n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50211166
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
PDB
MMDB

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330n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211176
PNG
((Z)-5-(4-((dimethylamino)methyl)benzylidene)-3-(4-...)
Show SMILES CN(C)Cc1ccc(\C=C2/NC(=O)N(C2=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H23N3O3/c1-27(2)17-19-10-8-18(9-11-19)16-23-24(29)28(25(30)26-23)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,30)/b23-16-
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341n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211168
PNG
((Z)-5-(4-(azepan-1-ylmethyl)benzylidene)-3-(4-phen...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H29N3O3/c33-28-27(20-22-10-12-23(13-11-22)21-31-18-6-1-2-7-19-31)30-29(34)32(28)24-14-16-26(17-15-24)35-25-8-4-3-5-9-25/h3-5,8-17,20H,1-2,6-7,18-19,21H2,(H,30,34)/b27-20-
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357n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211170
PNG
(3-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1c(O)cn(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
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365n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50211166
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
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370n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211161
PNG
(3-biphenyl-4-yl-1-[3-methoxy-4-(2-pyrrolidin-1-yl-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(cc2)-c2ccccc2)c1=O
Show InChI InChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
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415n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211171
PNG
((Z)-5-(4-((2-(dimethylamino)ethylamino)methyl)benz...)
Show SMILES CN(C)CCNCc1ccc(\C=C2/NC(=O)N(C2=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28N4O3/c1-30(2)17-16-28-19-21-10-8-20(9-11-21)18-25-26(32)31(27(33)29-25)22-12-14-24(15-13-22)34-23-6-4-3-5-7-23/h3-15,18,28H,16-17,19H2,1-2H3,(H,29,33)/b25-18-
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707n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50211166
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
PDB

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880n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211169
PNG
(CHEMBL394311 | N-(3-methoxy-4-(2-(pyrrolidin-1-yl)...)
Show SMILES COc1cc(Nc2nc(cs2)-c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C28H29N3O3S/c1-32-27-19-22(11-14-26(27)33-18-17-31-15-5-6-16-31)29-28-30-25(20-35-28)21-9-12-24(13-10-21)34-23-7-3-2-4-8-23/h2-4,7-14,19-20H,5-6,15-18H2,1H3,(H,29,30)
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1.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211163
PNG
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C26H29N3O3S/c1-30-25-19-21(11-14-24(25)31-18-17-29-15-5-6-16-29)28-26(33)27-20-9-12-23(13-10-20)32-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,33)
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1.09E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211177
PNG
((Z)-5-(4-((4-acetylpiperazin-1-yl)methyl)benzylide...)
Show SMILES CC(=O)N1CCN(Cc2ccc(\C=C3/NC(=O)N(C3=O)c3ccc(Oc4ccccc4)cc3)cc2)CC1
Show InChI InChI=1S/C29H28N4O4/c1-21(34)32-17-15-31(16-18-32)20-23-9-7-22(8-10-23)19-27-28(35)33(29(36)30-27)24-11-13-26(14-12-24)37-25-5-3-2-4-6-25/h2-14,19H,15-18,20H2,1H3,(H,30,36)/b27-19-
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2.06E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211175
PNG
((Z)-5-(4-((benzylamino)methyl)benzylidene)-3-(4-ph...)
Show SMILES O=C1N\C(=C/c2ccc(CNCc3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H25N3O3/c34-29-28(19-22-11-13-24(14-12-22)21-31-20-23-7-3-1-4-8-23)32-30(35)33(29)25-15-17-27(18-16-25)36-26-9-5-2-6-10-26/h1-19,31H,20-21H2,(H,32,35)/b28-19-
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>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211162
PNG
((Z)-5-(4-((4-benzylpiperazin-1-yl)methyl)benzylide...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C34H32N4O3/c39-33-32(35-34(40)38(33)29-15-17-31(18-16-29)41-30-9-5-2-6-10-30)23-26-11-13-28(14-12-26)25-37-21-19-36(20-22-37)24-27-7-3-1-4-8-27/h1-18,23H,19-22,24-25H2,(H,35,40)/b32-23-
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>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211165
PNG
((Z)-5-(4-(piperidin-1-ylmethyl)benzylidene)-3-(4-p...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H27N3O3/c32-27-26(19-21-9-11-22(12-10-21)20-30-17-5-2-6-18-30)29-28(33)31(27)23-13-15-25(16-14-23)34-24-7-3-1-4-8-24/h1,3-4,7-16,19H,2,5-6,17-18,20H2,(H,29,33)/b26-19-
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>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211178
PNG
(1-biphenyl-4-yl-3-[3-methoxy-4-(2-pyrrolidin-1-yl-...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1c(O)cn(-c2ccc(cc2)-c2ccccc2)c1=O
Show InChI InChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211179
PNG
((Z)-5-(4-((cyclopentylamino)methyl)benzylidene)-3-...)
Show SMILES O=C1N\C(=C/c2ccc(CNC3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H27N3O3/c32-27-26(18-20-10-12-21(13-11-20)19-29-22-6-4-5-7-22)30-28(33)31(27)23-14-16-25(17-15-23)34-24-8-2-1-3-9-24/h1-3,8-18,22,29H,4-7,19H2,(H,30,33)/b26-18-
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>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50211164
PNG
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18-
PDB
MMDB

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>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211181
PNG
((Z)-5-(4-((4-phenylpiperazin-1-yl)methyl)benzylide...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCN(CC3)c3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C33H30N4O3/c38-32-31(34-33(39)37(32)28-15-17-30(18-16-28)40-29-9-5-2-6-10-29)23-25-11-13-26(14-12-25)24-35-19-21-36(22-20-35)27-7-3-1-4-8-27/h1-18,23H,19-22,24H2,(H,34,39)/b31-23-
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>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50211180
PNG
((Z)-5-(4-(morpholinomethyl)benzylidene)-3-(4-pheno...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCOCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O4/c31-26-25(18-20-6-8-21(9-7-20)19-29-14-16-33-17-15-29)28-27(32)30(26)22-10-12-24(13-11-22)34-23-4-2-1-3-5-23/h1-13,18H,14-17,19H2,(H,28,32)/b25-18-
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>5.00E+3n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2


(Homo sapiens (Human))
BDBM50211164
PNG
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18-
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>1.00E+4n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to MCHR2


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50211164
PNG
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)
Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18-
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 17: 3754-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0
More data for this
Ligand-Target Pair