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PubMed code 22551631

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385164
PNG
(CHEMBL2035944)
Show SMILES Clc1ccc(CNC(=O)[C@H]2CN(CC3CC3)C[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)c(Cl)c1 |r|
Show InChI InChI=1S/C28H34Cl2N4O2/c29-22-9-8-21(26(30)12-22)13-31-27(35)24-17-34(15-20-6-7-20)18-25(24)28(36)32-23-10-11-33(16-23)14-19-4-2-1-3-5-19/h1-5,8-9,12,20,23-25H,6-7,10-11,13-18H2,(H,31,35)(H,32,36)/t23?,24-,25+/m0/s1
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 70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385162
PNG
(CHEMBL2035942)
Show SMILES Clc1ccc(CCNC(=O)[C@H]2CN(CC3CC3)C[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)c(Cl)c1 |r|
Show InChI InChI=1S/C29H36Cl2N4O2/c30-23-9-8-22(27(31)14-23)10-12-32-28(36)25-18-35(16-21-6-7-21)19-26(25)29(37)33-24-11-13-34(17-24)15-20-4-2-1-3-5-20/h1-5,8-9,14,21,24-26H,6-7,10-13,15-19H2,(H,32,36)(H,33,37)/t24?,25-,26+/m0/s1
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 160n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385161
PNG
(CHEMBL2035941)
Show SMILES Clc1ccc(CCNC(=O)[C@H]2CN(CC3CC3)C[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)cc1 |r|
Show InChI InChI=1S/C29H37ClN4O2/c30-24-10-8-21(9-11-24)12-14-31-28(35)26-19-34(17-23-6-7-23)20-27(26)29(36)32-25-13-15-33(18-25)16-22-4-2-1-3-5-22/h1-5,8-11,23,25-27H,6-7,12-20H2,(H,31,35)(H,32,36)/t25?,26-,27+/m0/s1
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 380n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385163
PNG
(CHEMBL2035943)
Show SMILES Clc1cccc(CNC(=O)[C@H]2CN(CC3CC3)C[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)c1 |r|
Show InChI InChI=1S/C28H35ClN4O2/c29-23-8-4-7-22(13-23)14-30-27(34)25-18-33(16-21-9-10-21)19-26(25)28(35)31-24-11-12-32(17-24)15-20-5-2-1-3-6-20/h1-8,13,21,24-26H,9-12,14-19H2,(H,30,34)(H,31,35)/t24?,25-,26+/m0/s1
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 400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385160
PNG
(CHEMBL2035940)
Show SMILES Clc1cccc(CCNC(=O)[C@H]2CN(CC3CC3)C[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)c1 |r|
Show InChI InChI=1S/C29H37ClN4O2/c30-24-8-4-7-21(15-24)11-13-31-28(35)26-19-34(17-23-9-10-23)20-27(26)29(36)32-25-12-14-33(18-25)16-22-5-2-1-3-6-22/h1-8,15,23,25-27H,9-14,16-20H2,(H,31,35)(H,32,36)/t25?,26-,27+/m0/s1
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 670n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385156
PNG
(CHEMBL2035935)
Show SMILES O=C(NCc1ccccc1)[C@@H]1CNC[C@H]1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-19(22-11-15-7-3-1-4-8-15)17-13-21-14-18(17)20(25)23-12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,22,24)(H,23,25)/t17-,18-/m1/s1
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 900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385153
PNG
(CHEMBL2035936)
Show SMILES O=C(NCCc1ccccc1)[C@@H]1CNC[C@H]1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O2/c25-20(23-12-11-16-7-3-1-4-8-16)18-14-22-15-19(18)21(26)24-13-17-9-5-2-6-10-17/h1-10,18-19,22H,11-15H2,(H,23,25)(H,24,26)/t18-,19-/m1/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385167
PNG
(CHEMBL2035947)
Show SMILES O=C(NCCc1ccccc1)[C@H]1CN(CCOc2ccccc2)C[C@H]1C(=O)NC1CCN(Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C33H40N4O3/c38-32(34-18-16-26-10-4-1-5-11-26)30-24-37(20-21-40-29-14-8-3-9-15-29)25-31(30)33(39)35-28-17-19-36(23-28)22-27-12-6-2-7-13-27/h1-15,28,30-31H,16-25H2,(H,34,38)(H,35,39)/t28?,30-,31+/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385159
PNG
(CHEMBL2035939)
Show SMILES Fc1cccc(CCNC(=O)[C@H]2CN(CC3CC3)C[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)c1 |r|
Show InChI InChI=1S/C29H37FN4O2/c30-24-8-4-7-21(15-24)11-13-31-28(35)26-19-34(17-23-9-10-23)20-27(26)29(36)32-25-12-14-33(18-25)16-22-5-2-1-3-6-22/h1-8,15,23,25-27H,9-14,16-20H2,(H,31,35)(H,32,36)/t25?,26-,27+/m0/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385165
PNG
(CHEMBL2035945)
Show SMILES O=C(NCCc1ccccc1)[C@H]1CN(CC2CC2)C[C@H]1C(=O)NC1CCN(Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C29H38N4O2/c34-28(30-15-13-22-7-3-1-4-8-22)26-20-33(18-24-11-12-24)21-27(26)29(35)31-25-14-16-32(19-25)17-23-9-5-2-6-10-23/h1-10,24-27H,11-21H2,(H,30,34)(H,31,35)/t25?,26-,27+/m0/s1
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 2.60E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385151
PNG
(CHEMBL2035931)
Show SMILES O=C(NCCc1ccccc1)[C@H]1CNC[C@H]1C(=O)NC1CCN(Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C25H32N4O2/c30-24(27-13-11-19-7-3-1-4-8-19)22-15-26-16-23(22)25(31)28-21-12-14-29(18-21)17-20-9-5-2-6-10-20/h1-10,21-23,26H,11-18H2,(H,27,30)(H,28,31)/t21?,22-,23+/m0/s1
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 5.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385151
PNG
(CHEMBL2035931)
Show SMILES O=C(NCCc1ccccc1)[C@H]1CNC[C@H]1C(=O)NC1CCN(Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C25H32N4O2/c30-24(27-13-11-19-7-3-1-4-8-19)22-15-26-16-23(22)25(31)28-21-12-14-29(18-21)17-20-9-5-2-6-10-20/h1-10,21-23,26H,11-18H2,(H,27,30)(H,28,31)/t21?,22-,23+/m0/s1
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 5.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385157
PNG
(CHEMBL2035937)
Show SMILES NCCNC(=O)[C@@H]1CNC[C@H]1C(=O)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C15H20N4O3/c16-6-7-18-14(21)11-8-17-9-12(11)15(22)19-13(20)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9,16H2,(H,18,21)(H,19,20,22)/t11-,12-/m1/s1
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 5.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385152
PNG
(CHEMBL2035933)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CNC[C@@H]1C(=O)NCC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O3/c29-22(16-6-2-1-3-7-16)15-28-24(31)20-14-25-13-19(20)23(30)26-11-10-17-12-27-21-9-5-4-8-18(17)21/h1-9,12,19-20,25,27H,10-11,13-15H2,(H,26,30)(H,28,31)/t19-,20+/m1/s1
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 5.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385155
PNG
(CHEMBL2035934)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CNC[C@@H]1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C23H26N4O2/c28-22(25-11-10-17-13-26-21-9-5-4-8-18(17)21)19-14-24-15-20(19)23(29)27-12-16-6-2-1-3-7-16/h1-9,13,19-20,24,26H,10-12,14-15H2,(H,25,28)(H,27,29)/t19-,20+/m1/s1
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 5.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385154
PNG
(CHEMBL2035932)
Show SMILES FC(F)(F)c1ccc(CNC(=O)[C@@H]2CNC[C@@H]2C(=O)NCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H26F3N3O2/c24-23(25,26)18-10-8-17(9-11-18)13-29-22(31)20-15-27-14-19(20)21(30)28-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,28,30)(H,29,31)/t19-,20+/m0/s1
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 5.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385166
PNG
(CHEMBL2035946)
Show SMILES OCCN1C[C@@H]([C@@H](C1)C(=O)NC1CCN(Cc2ccccc2)C1)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C27H36N4O3/c32-16-15-31-19-24(26(33)28-13-11-21-7-3-1-4-8-21)25(20-31)27(34)29-23-12-14-30(18-23)17-22-9-5-2-6-10-22/h1-10,23-25,32H,11-20H2,(H,28,33)(H,29,34)/t23?,24-,25+/m0/s1
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 6.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50385158
PNG
(CHEMBL2035938)
Show SMILES O=C(NCc1ccccc1)[C@@H]1CNC[C@H]1C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H25N3O2/c29-24(27-15-18-8-3-1-4-9-18)22-16-26-17-23(22)25(30)28-21-13-7-12-20(14-21)19-10-5-2-6-11-19/h1-14,22-23,26H,15-17H2,(H,27,29)(H,28,30)/t22-,23-/m1/s1
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 6.60E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 3565-74 (2012)


Article DOI: 10.1016/j.bmc.2012.04.001
BindingDB Entry DOI: 10.7270/Q24M95K5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%