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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50016422   
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))
BDBM50168805
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(F)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26F2N4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-24(27)25(28)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33)
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0.840n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168812
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1cc(F)cc(F)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26F2N4O/c1-32(2)11-10-22(17-30-26(33)31-25-14-23(27)13-24(28)15-25)20-8-6-19(7-9-20)21-5-3-4-18(12-21)16-29/h3-9,12-15,22H,10-11,17H2,1-2H3,(H2,30,31,33)
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0.880n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168825
PNG
(1-(3-Chloro-4-fluoro-phenyl)-3-[2-(3'-cyano-biphen...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26ClFN4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-25(28)24(27)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33)
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0.980n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168791
PNG
(1-(3-Chloro-phenyl)-3-[2-(3'-cyano-biphenyl-4-yl)-...)
Show SMILES CN(C)CCC(CNC(=O)Nc1cccc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-31(2)14-13-23(18-29-26(32)30-25-8-4-7-24(27)16-25)21-11-9-20(10-12-21)22-6-3-5-19(15-22)17-28/h3-12,15-16,23H,13-14,18H2,1-2H3,(H2,29,30,32)
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1.10n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168800
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1cccc(F)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H27FN4O/c1-31(2)14-13-23(18-29-26(32)30-25-8-4-7-24(27)16-25)21-11-9-20(10-12-21)22-6-3-5-19(15-22)17-28/h3-12,15-16,23H,13-14,18H2,1-2H3,(H2,29,30,32)
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1.20n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168823
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccccc1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H28N4O/c1-30(2)16-15-24(19-28-26(31)29-25-9-4-3-5-10-25)22-13-11-21(12-14-22)23-8-6-7-20(17-23)18-27/h3-14,17,24H,15-16,19H2,1-2H3,(H2,28,29,31)
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2.40n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168802
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-methylamino-butyl]...)
Show SMILES CNCCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H24Cl2N4O/c1-29-10-9-21(16-30-25(32)31-24-13-22(26)12-23(27)14-24)19-7-5-18(6-8-19)20-4-2-3-17(11-20)15-28/h2-8,11-14,21,29H,9-10,16H2,1H3,(H2,30,31,32)
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2.60n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168810
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-cyclopentylamino-b...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C29H30Cl2N4O/c30-25-15-26(31)17-28(16-25)35-29(36)34-19-24(12-13-33-27-6-1-2-7-27)22-10-8-21(9-11-22)23-5-3-4-20(14-23)18-32/h3-5,8-11,14-17,24,27,33H,1-2,6-7,12-13,19H2,(H2,34,35,36)
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3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168810
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-cyclopentylamino-b...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C29H30Cl2N4O/c30-25-15-26(31)17-28(16-25)35-29(36)34-19-24(12-13-33-27-6-1-2-7-27)22-10-8-21(9-11-22)23-5-3-4-20(14-23)18-32/h3-5,8-11,14-17,24,27,33H,1-2,6-7,12-13,19H2,(H2,34,35,36)
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3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168799
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-ethylamino-butyl]-...)
Show SMILES CCNCCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26Cl2N4O/c1-2-30-11-10-22(17-31-26(33)32-25-14-23(27)13-24(28)15-25)20-8-6-19(7-9-20)21-5-3-4-18(12-21)16-29/h3-9,12-15,22,30H,2,10-11,17H2,1H3,(H2,31,32,33)
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4.30n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168797
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26Cl2N4O/c1-32(2)11-10-22(17-30-26(33)31-25-14-23(27)13-24(28)15-25)20-8-6-19(7-9-20)21-5-3-4-18(12-21)16-29/h3-9,12-15,22H,10-11,17H2,1-2H3,(H2,30,31,33)
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4.70n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168809
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-isopropylamino-but...)
Show SMILES CC(C)NCCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H28Cl2N4O/c1-18(2)31-11-10-23(17-32-27(34)33-26-14-24(28)13-25(29)15-26)21-8-6-20(7-9-21)22-5-3-4-19(12-22)16-30/h3-9,12-15,18,23,31H,10-11,17H2,1-2H3,(H2,32,33,34)
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5.60n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168814
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)cc1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H27FN4O/c1-31(2)15-14-23(18-29-26(32)30-25-12-10-24(27)11-13-25)21-8-6-20(7-9-21)22-5-3-4-19(16-22)17-28/h3-13,16,23H,14-15,18H2,1-2H3,(H2,29,30,32)
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7.40n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168804
PNG
(1-(4-Chloro-phenyl)-3-[2-(3'-cyano-biphenyl-4-yl)-...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(Cl)cc1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-31(2)15-14-23(18-29-26(32)30-25-12-10-24(27)11-13-25)21-8-6-20(7-9-21)22-5-3-4-19(16-22)17-28/h3-13,16,23H,14-15,18H2,1-2H3,(H2,29,30,32)
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9.20n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168821
PNG
(1-[4-Cyclopentylamino-2-(3'-trifluoromethoxy-biphe...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1ccc(cc1)C(CCNC1CCCC1)CNC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H30Cl2F3N3O2/c30-23-15-24(31)17-26(16-23)37-28(38)36-18-22(12-13-35-25-5-1-2-6-25)20-10-8-19(9-11-20)21-4-3-7-27(14-21)39-29(32,33)34/h3-4,7-11,14-17,22,25,35H,1-2,5-6,12-13,18H2,(H2,36,37,38)
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20n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168811
PNG
(1-[4-Cyclopentylamino-2-(4-pyridin-3-yl-phenyl)-bu...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2cccnc2)c1
Show InChI InChI=1S/C27H30Cl2N4O/c28-23-14-24(29)16-26(15-23)33-27(34)32-18-22(11-13-31-25-5-1-2-6-25)20-9-7-19(8-10-20)21-4-3-12-30-17-21/h3-4,7-10,12,14-17,22,25,31H,1-2,5-6,11,13,18H2,(H2,32,33,34)
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24n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168792
PNG
(1-[2-(3'-Chloro-biphenyl-4-yl)-4-cyclopentylamino-...)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(CCNC1CCCC1)CNC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H30Cl3N3O/c29-23-5-3-4-21(14-23)19-8-10-20(11-9-19)22(12-13-32-26-6-1-2-7-26)18-33-28(35)34-27-16-24(30)15-25(31)17-27/h3-5,8-11,14-17,22,26,32H,1-2,6-7,12-13,18H2,(H2,33,34,35)
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26n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168815
PNG
(1-[4-Cyclopentylamino-2-(3'-fluoro-biphenyl-4-yl)-...)
Show SMILES Fc1cccc(c1)-c1ccc(cc1)C(CCNC1CCCC1)CNC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H30Cl2FN3O/c29-23-15-24(30)17-27(16-23)34-28(35)33-18-22(12-13-32-26-6-1-2-7-26)20-10-8-19(9-11-20)21-4-3-5-25(31)14-21/h3-5,8-11,14-17,22,26,32H,1-2,6-7,12-13,18H2,(H2,33,34,35)
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37n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168824
PNG
(1-[2-(4'-Cyano-biphenyl-4-yl)-4-cyclopentylamino-b...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C29H30Cl2N4O/c30-25-15-26(31)17-28(16-25)35-29(36)34-19-24(13-14-33-27-3-1-2-4-27)23-11-9-22(10-12-23)21-7-5-20(18-32)6-8-21/h5-12,15-17,24,27,33H,1-4,13-14,19H2,(H2,34,35,36)
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46n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168798
PNG
(1-(2-Biphenyl-4-yl-4-cyclopentylamino-butyl)-3-(3,...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C28H31Cl2N3O/c29-24-16-25(30)18-27(17-24)33-28(34)32-19-23(14-15-31-26-8-4-5-9-26)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-3,6-7,10-13,16-18,23,26,31H,4-5,8-9,14-15,19H2,(H2,32,33,34)
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50n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168817
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES Fc1ccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C27H34Cl3FN4O/c28-23-6-4-19(16-24(23)29)20(18-32-27(36)33-21-5-7-26(31)25(30)17-21)8-13-34-14-9-22(10-15-34)35-11-2-1-3-12-35/h4-7,16-17,20,22H,1-3,8-15,18H2,(H2,32,33,36)
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100n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168801
PNG
(1-[4-Cyclopentylamino-2-(4-pyridin-4-yl-phenyl)-bu...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2ccncc2)c1
Show InChI InChI=1S/C27H30Cl2N4O/c28-23-15-24(29)17-26(16-23)33-27(34)32-18-22(11-14-31-25-3-1-2-4-25)20-7-5-19(6-8-20)21-9-12-30-13-10-21/h5-10,12-13,15-17,22,25,31H,1-4,11,14,18H2,(H2,32,33,34)
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122n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168820
PNG
(1-[2-(2'-Chloro-biphenyl-4-yl)-4-cyclopentylamino-...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C28H30Cl3N3O/c29-22-15-23(30)17-25(16-22)34-28(35)33-18-21(13-14-32-24-5-1-2-6-24)19-9-11-20(12-10-19)26-7-3-4-8-27(26)31/h3-4,7-12,15-17,21,24,32H,1-2,5-6,13-14,18H2,(H2,33,34,35)
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130n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168793
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C27H34Cl4N4O/c28-21-15-22(29)17-23(16-21)33-27(36)32-18-20(19-4-5-25(30)26(31)14-19)6-11-34-12-7-24(8-13-34)35-9-2-1-3-10-35/h4-5,14-17,20,24H,1-3,6-13,18H2,(H2,32,33,36)
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135n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168816
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES FC(F)(F)c1cccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C28H35Cl2F3N4O/c29-25-8-7-20(17-26(25)30)21(9-14-36-15-10-24(11-16-36)37-12-2-1-3-13-37)19-34-27(38)35-23-6-4-5-22(18-23)28(31,32)33/h4-8,17-18,21,24H,1-3,9-16,19H2,(H2,34,35,38)
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205n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168819
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES Fc1ccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)cc1F
Show InChI InChI=1S/C27H34Cl2F2N4O/c28-23-6-4-19(16-24(23)29)20(18-32-27(36)33-21-5-7-25(30)26(31)17-21)8-13-34-14-9-22(10-15-34)35-11-2-1-3-12-35/h4-7,16-17,20,22H,1-3,8-15,18H2,(H2,32,33,36)
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240n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168803
PNG
(1-[2-(4'-Chloro-biphenyl-4-yl)-4-cyclopentylamino-...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(CCNC1CCCC1)CNC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H30Cl3N3O/c29-23-11-9-20(10-12-23)19-5-7-21(8-6-19)22(13-14-32-26-3-1-2-4-26)18-33-28(35)34-27-16-24(30)15-25(31)17-27/h5-12,15-17,22,26,32H,1-4,13-14,18H2,(H2,33,34,35)
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280n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168808
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES Clc1ccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C27H34Cl4N4O/c28-23-6-4-19(16-25(23)30)20(18-32-27(36)33-21-5-7-24(29)26(31)17-21)8-13-34-14-9-22(10-15-34)35-11-2-1-3-12-35/h4-7,16-17,20,22H,1-3,8-15,18H2,(H2,32,33,36)
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300n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168822
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES FC(F)(F)c1ccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C28H35Cl2F3N4O/c29-25-9-4-20(18-26(25)30)21(10-15-36-16-11-24(12-17-36)37-13-2-1-3-14-37)19-34-27(38)35-23-7-5-22(6-8-23)28(31,32)33/h4-9,18,21,24H,1-3,10-17,19H2,(H2,34,35,38)
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1.08E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168795
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES FC(F)(F)c1cc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H34Cl2F6N4O/c30-25-5-4-19(14-26(25)31)20(6-11-40-12-7-24(8-13-40)41-9-2-1-3-10-41)18-38-27(42)39-23-16-21(28(32,33)34)15-22(17-23)29(35,36)37/h4-5,14-17,20,24H,1-3,6-13,18H2,(H2,38,39,42)
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1.22E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168796
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES Clc1cccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C27H35Cl3N4O/c28-22-5-4-6-23(18-22)32-27(35)31-19-21(20-7-8-25(29)26(30)17-20)9-14-33-15-10-24(11-16-33)34-12-2-1-3-13-34/h4-8,17-18,21,24H,1-3,9-16,19H2,(H2,31,32,35)
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1.64E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168818
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES Cc1cccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C28H38Cl2N4O/c1-21-6-5-7-24(18-21)32-28(35)31-20-23(22-8-9-26(29)27(30)19-22)10-15-33-16-11-25(12-17-33)34-13-3-2-4-14-34/h5-9,18-19,23,25H,2-4,10-17,20H2,1H3,(H2,31,32,35)
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6.80E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168807
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES COc1cccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C28H38Cl2N4O2/c1-36-25-7-5-6-23(19-25)32-28(35)31-20-22(21-8-9-26(29)27(30)18-21)10-15-33-16-11-24(12-17-33)34-13-3-2-4-14-34/h5-9,18-19,22,24H,2-4,10-17,20H2,1H3,(H2,31,32,35)
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1.10E+4n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168794
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES Clc1ccc(cc1Cl)C(CCN1CCC(CC1)N1CCCCC1)CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36Cl2N4O/c28-25-10-9-21(19-26(25)29)22(20-30-27(34)31-23-7-3-1-4-8-23)11-16-32-17-12-24(13-18-32)33-14-5-2-6-15-33/h1,3-4,7-10,19,22,24H,2,5-6,11-18,20H2,(H2,30,31,34)
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1.85E+4n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168806
PNG
(1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phe...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)NCC(CCN1CCC(CC1)N1CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H35Cl2F3N4O/c29-24-9-8-20(18-25(24)30)21(10-15-36-16-11-22(12-17-36)37-13-4-1-5-14-37)19-34-27(38)35-26-7-3-2-6-23(26)28(31,32)33/h2-3,6-9,18,21-22H,1,4-5,10-17,19H2,(H2,34,35,38)
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2.25E+4n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair