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PubMed code 17629702

Compile data set for download or QSAR
Found 68 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))		BDBM50218071
PNG
((R)-2-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophe...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C)N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C31H43ClFN5O2/c1-19(2)28(35-30(39)21(5)34)24-7-6-8-27(33)29(24)36-13-15-37(16-14-36)31(40)26-18-38(20(3)4)17-25(26)22-9-11-23(32)12-10-22/h6-12,19-21,25-26,28H,13-18,34H2,1-5H3,(H,35,39)/t21-,25+,26-,28+/m1/s1
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 4.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218106
PNG
(CHEMBL400932 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C34H50ClN5O2/c1-23(2)33(36-32(41)14-15-37(6)7)28-20-25(5)8-13-31(28)38-16-18-39(19-17-38)34(42)30-22-40(24(3)4)21-29(30)26-9-11-27(35)12-10-26/h8-13,20,23-24,29-30,33H,14-19,21-22H2,1-7H3,(H,36,41)/t29-,30+,33-/m0/s1
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 4.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218066
PNG
((R)-2-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C)N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C33H45ClF3N5O2/c1-20(2)16-29(39-31(43)22(5)38)26-17-24(33(35,36)37)8-11-30(26)40-12-14-41(15-13-40)32(44)28-19-42(21(3)4)18-27(28)23-6-9-25(34)10-7-23/h6-11,17,20-22,27-29H,12-16,18-19,38H2,1-5H3,(H,39,43)/t22-,27+,28-,29+/m1/s1
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 4.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218065
PNG
(CHEMBL402058 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)[C@H](NC(=O)CN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C33H48ClN5O2/c1-22(2)32(35-31(40)21-36(6)7)27-18-24(5)8-13-30(27)37-14-16-38(17-15-37)33(41)29-20-39(23(3)4)19-28(29)25-9-11-26(34)12-10-25/h8-13,18,22-23,28-29,32H,14-17,19-21H2,1-7H3,(H,35,40)/t28-,29+,32-/m0/s1
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 7.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218068
PNG
(CHEMBL400934 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CNCC(=O)N[C@@H](CC(C)C)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C33H45ClF3N5O2/c1-21(2)16-29(39-31(43)18-38-5)26-17-24(33(35,36)37)8-11-30(26)40-12-14-41(15-13-40)32(44)28-20-42(22(3)4)19-27(28)23-6-9-25(34)10-7-23/h6-11,17,21-22,27-29,38H,12-16,18-20H2,1-5H3,(H,39,43)/t27-,28+,29-/m0/s1
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 7.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218079
PNG
(3-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C33H45ClF3N5O2/c1-21(2)17-29(39-31(43)11-12-38)26-18-24(33(35,36)37)7-10-30(26)40-13-15-41(16-14-40)32(44)28-20-42(22(3)4)19-27(28)23-5-8-25(34)9-6-23/h5-10,18,21-22,27-29H,11-17,19-20,38H2,1-4H3,(H,39,43)/t27-,28+,29-/m0/s1
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 8.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218100
PNG
(2-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C32H43ClF3N5O2/c1-20(2)15-28(38-30(42)17-37)25-16-23(32(34,35)36)7-10-29(25)39-11-13-40(14-12-39)31(43)27-19-41(21(3)4)18-26(27)22-5-8-24(33)9-6-22/h5-10,16,20-21,26-28H,11-15,17-19,37H2,1-4H3,(H,38,42)/t26-,27+,28-/m0/s1
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 8.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218075
PNG
(CHEMBL248435 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C35H49ClF3N5O2/c1-23(2)19-31(40-33(45)13-14-41(5)6)28-20-26(35(37,38)39)9-12-32(28)42-15-17-43(18-16-42)34(46)30-22-44(24(3)4)21-29(30)25-7-10-27(36)11-8-25/h7-12,20,23-24,29-31H,13-19,21-22H2,1-6H3,(H,40,45)/t29-,30+,31-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218101
PNG
(CHEMBL401465 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C31H43ClFN5O2/c1-20(2)29(35-28(39)17-34-5)24-7-6-8-27(33)30(24)36-13-15-37(16-14-36)31(40)26-19-38(21(3)4)18-25(26)22-9-11-23(32)12-10-22/h6-12,20-21,25-26,29,34H,13-19H2,1-5H3,(H,35,39)/t25-,26+,29-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218093
PNG
((4-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C29H41ClN4O/c1-19(2)28(31)24-16-21(5)6-11-27(24)32-12-14-33(15-13-32)29(35)26-18-34(20(3)4)17-25(26)22-7-9-23(30)10-8-22/h6-11,16,19-20,25-26,28H,12-15,17-18,31H2,1-5H3/t25-,26+,28-/m0/s1
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 12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218067
PNG
(3-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophenyl)...)
Show SMILES CC(C)[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C31H43ClFN5O2/c1-20(2)29(35-28(39)12-13-34)24-6-5-7-27(33)30(24)36-14-16-37(17-15-36)31(40)26-19-38(21(3)4)18-25(26)22-8-10-23(32)11-9-22/h5-11,20-21,25-26,29H,12-19,34H2,1-4H3,(H,35,39)/t25-,26+,29-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218091
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)[C@H](N(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C31H45ClN4O/c1-21(2)30(33(6)7)26-18-23(5)8-13-29(26)34-14-16-35(17-15-34)31(37)28-20-36(22(3)4)19-27(28)24-9-11-25(32)12-10-24/h8-13,18,21-22,27-28,30H,14-17,19-20H2,1-7H3/t27-,28+,30-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218082
PNG
(CHEMBL251594 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C34H47ClF3N5O2/c1-22(2)17-30(39-32(44)21-40(5)6)27-18-25(34(36,37)38)9-12-31(27)41-13-15-42(16-14-41)33(45)29-20-43(23(3)4)19-28(29)24-7-10-26(35)11-8-24/h7-12,18,22-23,28-30H,13-17,19-21H2,1-6H3,(H,39,44)/t28-,29+,30-/m0/s1
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 17.3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218087
PNG
(CHEMBL402060 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NC(=O)C1CNC1)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C34H45ClF3N5O2/c1-21(2)15-30(40-32(44)24-17-39-18-24)27-16-25(34(36,37)38)7-10-31(27)41-11-13-42(14-12-41)33(45)29-20-43(22(3)4)19-28(29)23-5-8-26(35)9-6-23/h5-10,16,21-22,24,28-30,39H,11-15,17-20H2,1-4H3,(H,40,44)/t28-,29+,30-/m0/s1
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 18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218070
PNG
((4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)...)
Show SMILES CC(C)[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C28H38ClFN4O/c1-18(2)26(31)22-6-5-7-25(30)27(22)32-12-14-33(15-13-32)28(35)24-17-34(19(3)4)16-23(24)20-8-10-21(29)11-9-20/h5-11,18-19,23-24,26H,12-17,31H2,1-4H3/t23-,24+,26-/m0/s1
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 21n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218080
PNG
((4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluorometh...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C30H40ClF3N4O/c1-19(2)15-27(35)24-16-22(30(32,33)34)7-10-28(24)36-11-13-37(14-12-36)29(39)26-18-38(20(3)4)17-25(26)21-5-8-23(31)9-6-21/h5-10,16,19-20,25-27H,11-15,17-18,35H2,1-4H3/t25-,26+,27-/m0/s1
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 26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218073
PNG
(CHEMBL251587 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)[C@H](NC(C)=O)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C31H43ClN4O2/c1-20(2)30(33-23(6)37)26-17-22(5)7-12-29(26)34-13-15-35(16-14-34)31(38)28-19-36(21(3)4)18-27(28)24-8-10-25(32)11-9-24/h7-12,17,20-21,27-28,30H,13-16,18-19H2,1-6H3,(H,33,37)/t27-,28+,30-/m0/s1
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 47n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218077
PNG
((S)-2-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C33H45ClF3N5O2/c1-20(2)16-29(39-31(43)22(5)38)26-17-24(33(35,36)37)8-11-30(26)40-12-14-41(15-13-40)32(44)28-19-42(21(3)4)18-27(28)23-6-9-25(34)10-7-23/h6-11,17,20-22,27-29H,12-16,18-19,38H2,1-5H3,(H,39,43)/t22-,27-,28+,29-/m0/s1
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 47n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218063
PNG
(CHEMBL248687 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NS(C)(=O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C31H42ClF3N4O3S/c1-20(2)16-28(36-43(5,41)42)25-17-23(31(33,34)35)8-11-29(25)37-12-14-38(15-13-37)30(40)27-19-39(21(3)4)18-26(27)22-6-9-24(32)10-7-22/h6-11,17,20-21,26-28,36H,12-16,18-19H2,1-5H3/t26-,27+,28-/m0/s1
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 87n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218096
PNG
((4-(2-((4-aminopiperidin-1-yl)methyl)phenyl)pipera...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN1CCC(N)CC1
Show InChI InChI=1S/C30H42ClN5O/c1-22(2)36-20-27(23-7-9-25(31)10-8-23)28(21-36)30(37)35-17-15-34(16-18-35)29-6-4-3-5-24(29)19-33-13-11-26(32)12-14-33/h3-10,22,26-28H,11-21,32H2,1-2H3/t27-,28+/m0/s1
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 92n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218081
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CC1CCNCC1
Show InChI InChI=1S/C30H41ClN4O/c1-22(2)35-20-27(24-7-9-26(31)10-8-24)28(21-35)30(36)34-17-15-33(16-18-34)29-6-4-3-5-25(29)19-23-11-13-32-14-12-23/h3-10,22-23,27-28,32H,11-21H2,1-2H3/t27-,28+/m0/s1
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 190n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218069
PNG
((4-(2-((1H-imidazol-1-yl)methyl)phenyl)piperazin-1...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1Cn1ccnc1
Show InChI InChI=1S/C28H34ClN5O/c1-21(2)34-18-25(22-7-9-24(29)10-8-22)26(19-34)28(35)33-15-13-32(14-16-33)27-6-4-3-5-23(27)17-31-12-11-30-20-31/h3-12,20-21,25-26H,13-19H2,1-2H3/t25-,26+/m0/s1
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 220n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218104
PNG
((4-(2-((2-aminoethylamino)methyl)phenyl)piperazin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCN
Show InChI InChI=1S/C27H38ClN5O/c1-20(2)33-18-24(21-7-9-23(28)10-8-21)25(19-33)27(34)32-15-13-31(14-16-32)26-6-4-3-5-22(26)17-30-12-11-29/h3-10,20,24-25,30H,11-19,29H2,1-2H3/t24-,25+/m0/s1
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 230n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218072
PNG
((4-(2-((azetidin-3-yl(methyl)amino)methyl)phenyl)p...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN(C)C1CNC1
Show InChI InChI=1S/C29H40ClN5O/c1-21(2)35-19-26(22-8-10-24(30)11-9-22)27(20-35)29(36)34-14-12-33(13-15-34)28-7-5-4-6-23(28)18-32(3)25-16-31-17-25/h4-11,21,25-27,31H,12-20H2,1-3H3/t26-,27+/m0/s1
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 240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218095
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1Cn1cncc1C
Show InChI InChI=1S/C29H36ClN5O/c1-21(2)34-18-26(23-8-10-25(30)11-9-23)27(19-34)29(36)33-14-12-32(13-15-33)28-7-5-4-6-24(28)17-35-20-31-16-22(35)3/h4-11,16,20-21,26-27H,12-15,17-19H2,1-3H3/t26-,27+/m0/s1
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 250n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218085
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CNCCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C28H40ClN5O/c1-21(2)34-19-25(22-8-10-24(29)11-9-22)26(20-34)28(35)33-16-14-32(15-17-33)27-7-5-4-6-23(27)18-31-13-12-30-3/h4-11,21,25-26,30-31H,12-20H2,1-3H3/t25-,26+/m0/s1
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 270n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218102
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1Cn1ccnc1C
Show InChI InChI=1S/C29H36ClN5O/c1-21(2)35-19-26(23-8-10-25(30)11-9-23)27(20-35)29(36)33-16-14-32(15-17-33)28-7-5-4-6-24(28)18-34-13-12-31-22(34)3/h4-13,21,26-27H,14-20H2,1-3H3/t26-,27+/m0/s1
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 280n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218099
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES COCCN(C)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C29H41ClN4O2/c1-22(2)34-20-26(23-9-11-25(30)12-10-23)27(21-34)29(35)33-15-13-32(14-16-33)28-8-6-5-7-24(28)19-31(3)17-18-36-4/h5-12,22,26-27H,13-21H2,1-4H3/t26-,27+/m0/s1
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 320n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218108
PNG
(CHEMBL250797 | [(3S,4R)-4-(4-chloro-phenyl)-1-isop...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1Cn1cncn1
Show InChI InChI=1S/C27H33ClN6O/c1-20(2)33-16-24(21-7-9-23(28)10-8-21)25(17-33)27(35)32-13-11-31(12-14-32)26-6-4-3-5-22(26)15-34-19-29-18-30-34/h3-10,18-20,24-25H,11-17H2,1-2H3/t24-,25+/m0/s1
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 320n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218110
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN1CCNCC1
Show InChI InChI=1S/C29H40ClN5O/c1-22(2)35-20-26(23-7-9-25(30)10-8-23)27(21-35)29(36)34-17-15-33(16-18-34)28-6-4-3-5-24(28)19-32-13-11-31-12-14-32/h3-10,22,26-27,31H,11-21H2,1-2H3/t26-,27+/m0/s1
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 360n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218083
PNG
((4-(2-((1H-1,2,3-triazol-1-yl)methyl)phenyl)pipera...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1Cn1ccnn1
Show InChI InChI=1S/C27H33ClN6O/c1-20(2)33-18-24(21-7-9-23(28)10-8-21)25(19-33)27(35)32-15-13-31(14-16-32)26-6-4-3-5-22(26)17-34-12-11-29-30-34/h3-12,20,24-25H,13-19H2,1-2H3/t24-,25+/m0/s1
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 420n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218088
PNG
(CHEMBL399557 | N-((14S,15R)-2-(4-((3R,4S)-3-(4-chl...)
Show SMILES CC(C)CN(Cc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(=O)CCN
Show InChI InChI=1S/C32H46ClN5O2/c1-23(2)19-38(31(39)13-14-34)20-26-7-5-6-8-30(26)35-15-17-36(18-16-35)32(40)29-22-37(24(3)4)21-28(29)25-9-11-27(33)12-10-25/h5-12,23-24,28-29H,13-22,34H2,1-4H3/t28-,29+/m0/s1
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 450n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218090
PNG
((4-(2-((1H-pyrazol-1-yl)methyl)phenyl)piperazin-1-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1Cn1cccn1
Show InChI InChI=1S/C28H34ClN5O/c1-21(2)33-19-25(22-8-10-24(29)11-9-22)26(20-33)28(35)32-16-14-31(15-17-32)27-7-4-3-6-23(27)18-34-13-5-12-30-34/h3-13,21,25-26H,14-20H2,1-2H3/t25-,26+/m0/s1
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 490n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218111
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)CNCc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C29H41ClN4O/c1-21(2)17-31-18-24-7-5-6-8-28(24)32-13-15-33(16-14-32)29(35)27-20-34(22(3)4)19-26(27)23-9-11-25(30)12-10-23/h5-12,21-22,26-27,31H,13-20H2,1-4H3/t26-,27+/m0/s1
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 510n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218074
PNG
((4-(2-((azetidin-3-ylamino)methyl)phenyl)piperazin...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNC1CNC1
Show InChI InChI=1S/C28H38ClN5O/c1-20(2)34-18-25(21-7-9-23(29)10-8-21)26(19-34)28(35)33-13-11-32(12-14-33)27-6-4-3-5-22(27)15-31-24-16-30-17-24/h3-10,20,24-26,30-31H,11-19H2,1-2H3/t25-,26+/m0/s1
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 520n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218097
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C25H32ClN3O2/c1-18(2)29-16-21(19-8-10-20(26)11-9-19)22(17-29)25(30)28-14-12-27(13-15-28)23-6-4-5-7-24(23)31-3/h4-11,18,21-22H,12-17H2,1-3H3/t21-,22+/m0/s1
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 520n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218084
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN1CCCC1
Show InChI InChI=1S/C29H39ClN4O/c1-22(2)34-20-26(23-9-11-25(30)12-10-23)27(21-34)29(35)33-17-15-32(16-18-33)28-8-4-3-7-24(28)19-31-13-5-6-14-31/h3-4,7-12,22,26-27H,5-6,13-21H2,1-2H3/t26-,27+/m0/s1
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 550n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218076
PNG
(CHEMBL400510 | [(3S,4R)-4-(4-chloro-phenyl)-1-isop...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1Cn1cnnc1 |r|
Show InChI InChI=1S/C27H33ClN6O/c1-20(2)34-16-24(21-7-9-23(28)10-8-21)25(17-34)27(35)33-13-11-32(12-14-33)26-6-4-3-5-22(26)15-31-18-29-30-19-31/h3-10,18-20,24-25H,11-17H2,1-2H3/t24-,25+/m0/s1
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 580n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218103
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN1CCN(C)CC1
Show InChI InChI=1S/C30H42ClN5O/c1-23(2)36-21-27(24-8-10-26(31)11-9-24)28(22-36)30(37)35-18-16-34(17-19-35)29-7-5-4-6-25(29)20-33-14-12-32(3)13-15-33/h4-11,23,27-28H,12-22H2,1-3H3/t27-,28+/m0/s1
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 840n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218109
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN1CCCCC1
Show InChI InChI=1S/C30H41ClN4O/c1-23(2)35-21-27(24-10-12-26(31)13-11-24)28(22-35)30(36)34-18-16-33(17-19-34)29-9-5-4-8-25(29)20-32-14-6-3-7-15-32/h4-5,8-13,23,27-28H,3,6-7,14-22H2,1-2H3/t27-,28+/m0/s1
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 950n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218094
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)CN(CC(C)C)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C33H49ClN4O/c1-24(2)19-35(20-25(3)4)21-28-9-7-8-10-32(28)36-15-17-37(18-16-36)33(39)31-23-38(26(5)6)22-30(31)27-11-13-29(34)14-12-27/h7-14,24-26,30-31H,15-23H2,1-6H3/t30-,31+/m0/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218092
PNG
((4-(2-(aminomethyl)phenyl)piperazin-1-yl)((3S,4R)-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN
Show InChI InChI=1S/C25H33ClN4O/c1-18(2)30-16-22(19-7-9-21(26)10-8-19)23(17-30)25(31)29-13-11-28(12-14-29)24-6-4-3-5-20(24)15-27/h3-10,18,22-23H,11-17,27H2,1-2H3/t22-,23+/m0/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218105
PNG
(2-(4-((3R,4S)-3-(4-chlorophenyl)-1-isopropylpyrrol...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1C=O
Show InChI InChI=1S/C25H30ClN3O2/c1-18(2)29-15-22(19-7-9-21(26)10-8-19)23(16-29)25(31)28-13-11-27(12-14-28)24-6-4-3-5-20(24)17-30/h3-10,17-18,22-23H,11-16H2,1-2H3/t22-,23+/m0/s1
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 1.15E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218086
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN(C)C
Show InChI InChI=1S/C27H37ClN4O/c1-20(2)32-18-24(21-9-11-23(28)12-10-21)25(19-32)27(33)31-15-13-30(14-16-31)26-8-6-5-7-22(26)17-29(3)4/h5-12,20,24-25H,13-19H2,1-4H3/t24-,25+/m0/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218089
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C29H41ClN4O/c1-5-31(6-2)19-24-9-7-8-10-28(24)32-15-17-33(18-16-32)29(35)27-21-34(22(3)4)20-26(27)23-11-13-25(30)14-12-23/h7-14,22,26-27H,5-6,15-21H2,1-4H3/t26-,27+/m0/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218064
PNG
((4-(2-((2-aminophenylamino)methyl)phenyl)piperazin...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNc1ccccc1N
Show InChI InChI=1S/C31H38ClN5O/c1-22(2)37-20-26(23-11-13-25(32)14-12-23)27(21-37)31(38)36-17-15-35(16-18-36)30-10-6-3-7-24(30)19-34-29-9-5-4-8-28(29)33/h3-14,22,26-27,34H,15-21,33H2,1-2H3/t26-,27+/m0/s1
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 1.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218078
PNG
(((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNc1cccnc1
Show InChI InChI=1S/C30H36ClN5O/c1-22(2)36-20-27(23-9-11-25(31)12-10-23)28(21-36)30(37)35-16-14-34(15-17-35)29-8-4-3-6-24(29)18-33-26-7-5-13-32-19-26/h3-13,19,22,27-28,33H,14-18,20-21H2,1-2H3/t27-,28+/m0/s1
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 1.60E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218107
PNG
(CHEMBL250778 | N-((14S,15R)-2-(4-((3R,4S)-3-(4-chl...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNS(C)(=O)=O
Show InChI InChI=1S/C26H35ClN4O3S/c1-19(2)31-17-23(20-8-10-22(27)11-9-20)24(18-31)26(32)30-14-12-29(13-15-30)25-7-5-4-6-21(25)16-28-35(3,33)34/h4-11,19,23-24,28H,12-18H2,1-3H3/t23-,24+/m0/s1
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 1.70E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218098
PNG
(2-(4-((3R,4S)-3-(4-chlorophenyl)-1-isopropylpyrrol...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C25H29ClN4O/c1-18(2)30-16-22(19-7-9-21(26)10-8-19)23(17-30)25(31)29-13-11-28(12-14-29)24-6-4-3-5-20(24)15-27/h3-10,18,22-23H,11-14,16-17H2,1-2H3/t22-,23+/m0/s1
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 4.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218066
PNG
((R)-2-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C)N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C33H45ClF3N5O2/c1-20(2)16-29(39-31(43)22(5)38)26-17-24(33(35,36)37)8-11-30(26)40-12-14-41(15-13-40)32(44)28-19-42(21(3)4)18-27(28)23-6-9-25(34)10-7-23/h6-11,17,20-22,27-29H,12-16,18-19,38H2,1-5H3,(H,39,43)/t22-,27+,28-,29+/m1/s1
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n/an/an/an/a 31n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218087
PNG
(CHEMBL402060 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NC(=O)C1CNC1)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C34H45ClF3N5O2/c1-21(2)15-30(40-32(44)24-17-39-18-24)27-16-25(34(36,37)38)7-10-31(27)41-11-13-42(14-12-41)33(45)29-20-43(22(3)4)19-28(29)23-5-8-26(35)9-6-23/h5-10,16,21-22,24,28-30,39H,11-15,17-20H2,1-4H3,(H,40,44)/t28-,29+,30-/m0/s1
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n/an/an/an/a 6.60n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218069
PNG
((4-(2-((1H-imidazol-1-yl)methyl)phenyl)piperazin-1...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1Cn1ccnc1
Show InChI InChI=1S/C28H34ClN5O/c1-21(2)34-18-25(22-7-9-24(29)10-8-22)26(19-34)28(35)33-15-13-32(14-16-33)27-6-4-3-5-23(27)17-31-12-11-30-20-31/h3-12,20-21,25-26H,13-19H2,1-2H3/t25-,26+/m0/s1
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n/an/an/an/a 320n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218067
PNG
(3-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophenyl)...)
Show SMILES CC(C)[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C31H43ClFN5O2/c1-20(2)29(35-28(39)12-13-34)24-6-5-7-27(33)30(24)36-14-16-37(17-15-36)31(40)26-19-38(21(3)4)18-25(26)22-8-10-23(32)11-9-22/h5-11,20-21,25-26,29H,12-19,34H2,1-4H3,(H,35,39)/t25-,26+,29-/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218101
PNG
(CHEMBL401465 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C31H43ClFN5O2/c1-20(2)29(35-28(39)17-34-5)24-7-6-8-27(33)30(24)36-13-15-37(16-14-36)31(40)26-19-38(21(3)4)18-25(26)22-9-11-23(32)12-10-22/h6-12,20-21,25-26,29,34H,13-19H2,1-5H3,(H,35,39)/t25-,26+,29-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218100
PNG
(2-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C32H43ClF3N5O2/c1-20(2)15-28(38-30(42)17-37)25-16-23(32(34,35)36)7-10-29(25)39-11-13-40(14-12-39)31(43)27-19-41(21(3)4)18-26(27)22-5-8-24(33)9-6-22/h5-10,16,20-21,26-28H,11-15,17-19,37H2,1-4H3,(H,38,42)/t26-,27+,28-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218093
PNG
((4-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C29H41ClN4O/c1-19(2)28(31)24-16-21(5)6-11-27(24)32-12-14-33(15-13-32)29(35)26-18-34(20(3)4)17-25(26)22-7-9-23(30)10-8-22/h6-11,16,19-20,25-26,28H,12-15,17-18,31H2,1-5H3/t25-,26+,28-/m0/s1
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n/an/an/an/a 105n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218070
PNG
((4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)...)
Show SMILES CC(C)[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C28H38ClFN4O/c1-18(2)26(31)22-6-5-7-25(30)27(22)32-12-14-33(15-13-32)28(35)24-17-34(19(3)4)16-23(24)20-8-10-21(29)11-9-20/h5-11,18-19,23-24,26H,12-17,31H2,1-4H3/t23-,24+,26-/m0/s1
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n/an/an/an/a 270n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218082
PNG
(CHEMBL251594 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C34H47ClF3N5O2/c1-22(2)17-30(39-32(44)21-40(5)6)27-18-25(34(36,37)38)9-12-31(27)41-13-15-42(16-14-41)33(45)29-20-43(23(3)4)19-28(29)24-7-10-26(35)11-8-24/h7-12,18,22-23,28-30H,13-17,19-21H2,1-6H3,(H,39,44)/t28-,29+,30-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218077
PNG
((S)-2-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C33H45ClF3N5O2/c1-20(2)16-29(39-31(43)22(5)38)26-17-24(33(35,36)37)8-11-30(26)40-12-14-41(15-13-40)32(44)28-19-42(21(3)4)18-27(28)23-6-9-25(34)10-7-23/h6-11,17,20-22,27-29H,12-16,18-19,38H2,1-5H3,(H,39,43)/t22-,27-,28+,29-/m0/s1
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n/an/an/an/a 210n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218071
PNG
((R)-2-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophe...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C)N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C31H43ClFN5O2/c1-19(2)28(35-30(39)21(5)34)24-7-6-8-27(33)29(24)36-13-15-37(16-14-36)31(40)26-18-38(20(3)4)17-25(26)22-9-11-23(32)12-10-22/h6-12,19-21,25-26,28H,13-18,34H2,1-5H3,(H,35,39)/t21-,25+,26-,28+/m1/s1
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n/an/an/an/a 9n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218068
PNG
(CHEMBL400934 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CNCC(=O)N[C@@H](CC(C)C)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C33H45ClF3N5O2/c1-21(2)16-29(39-31(43)18-38-5)26-17-24(33(35,36)37)8-11-30(26)40-12-14-41(15-13-40)32(44)28-20-42(22(3)4)19-27(28)23-6-9-25(34)10-7-23/h6-11,17,21-22,27-29,38H,12-16,18-20H2,1-5H3,(H,39,43)/t27-,28+,29-/m0/s1
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n/an/an/an/a 67n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218096
PNG
((4-(2-((4-aminopiperidin-1-yl)methyl)phenyl)pipera...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CN1CCC(N)CC1
Show InChI InChI=1S/C30H42ClN5O/c1-22(2)36-20-27(23-7-9-25(31)10-8-23)28(21-36)30(37)35-17-15-34(16-18-35)29-6-4-3-5-24(29)19-33-13-11-26(32)12-14-33/h3-10,22,26-28H,11-21,32H2,1-2H3/t27-,28+/m0/s1
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n/an/an/an/a 390n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218080
PNG
((4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluorometh...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C30H40ClF3N4O/c1-19(2)15-27(35)24-16-22(30(32,33)34)7-10-28(24)36-11-13-37(14-12-36)29(39)26-18-38(20(3)4)17-25(26)21-5-8-23(31)9-6-21/h5-10,16,19-20,25-27H,11-15,17-18,35H2,1-4H3/t25-,26+,27-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218106
PNG
(CHEMBL400932 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C34H50ClN5O2/c1-23(2)33(36-32(41)14-15-37(6)7)28-20-25(5)8-13-31(28)38-16-18-39(19-17-38)34(42)30-22-40(24(3)4)21-29(30)26-9-11-27(35)12-10-26/h8-13,20,23-24,29-30,33H,14-19,21-22H2,1-7H3,(H,36,41)/t29-,30+,33-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218079
PNG
(3-amino-N-((S)-1-(2-(4-((3R,4S)-3-(4-chlorophenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C33H45ClF3N5O2/c1-21(2)17-29(39-31(43)11-12-38)26-18-24(33(35,36)37)7-10-30(26)40-13-15-41(16-14-40)32(44)28-20-42(22(3)4)19-27(28)23-5-8-25(34)9-6-23/h5-10,18,21-22,27-29H,11-17,19-20,38H2,1-4H3,(H,39,43)/t27-,28+,29-/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218065
PNG
(CHEMBL402058 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)[C@H](NC(=O)CN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C33H48ClN5O2/c1-22(2)32(35-31(40)21-36(6)7)27-18-24(5)8-13-30(27)37-14-16-38(17-15-37)33(41)29-20-39(23(3)4)19-28(29)25-9-11-26(34)12-10-25/h8-13,18,22-23,28-29,32H,14-17,19-21H2,1-7H3,(H,35,40)/t28-,29+,32-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218063
PNG
(CHEMBL248687 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NS(C)(=O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C31H42ClF3N4O3S/c1-20(2)16-28(36-43(5,41)42)25-17-23(31(33,34)35)8-11-29(25)37-12-14-38(15-13-37)30(40)27-19-39(21(3)4)18-26(27)22-6-9-24(32)10-7-22/h6-11,17,20-21,26-28,36H,12-16,18-19H2,1-5H3/t26-,27+,28-/m0/s1
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n/an/an/an/a 450n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50218075
PNG
(CHEMBL248435 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C35H49ClF3N5O2/c1-23(2)19-31(40-33(45)13-14-41(5)6)28-20-26(35(37,38)39)9-12-32(28)42-15-17-43(18-16-42)34(46)30-22-44(24(3)4)21-29(30)25-7-10-27(36)11-8-25/h7-12,20,23-24,29-31H,13-19,21-22H2,1-6H3,(H,40,45)/t29-,30+,31-/m0/s1
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KEGG

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n/an/an/an/a 91n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation

Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%