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Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'briner' and Initial = 'k'   
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))
BDBM50186127
PNG
(CHEMBL378408 | N-[(R)-2-{4-[2-(acetyl-ethyl-amino)...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)C(C)=O
Show InChI InChI=1S/C35H48ClN5O3/c1-3-39(25(2)42)24-33(27-9-5-4-6-10-27)40-17-19-41(20-18-40)35(44)32(21-26-13-15-29(36)16-14-26)38-34(43)23-30-22-28-11-7-8-12-31(28)37-30/h7-8,11-16,27,30,32-33,37H,3-6,9-10,17-24H2,1-2H3,(H,38,43)/t30?,32-,33?/m1/s1
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2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186127
PNG
(CHEMBL378408 | N-[(R)-2-{4-[2-(acetyl-ethyl-amino)...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)C(C)=O
Show InChI InChI=1S/C35H48ClN5O3/c1-3-39(25(2)42)24-33(27-9-5-4-6-10-27)40-17-19-41(20-18-40)35(44)32(21-26-13-15-29(36)16-14-26)38-34(43)23-30-22-28-11-7-8-12-31(28)37-30/h7-8,11-16,27,30,32-33,37H,3-6,9-10,17-24H2,1-2H3,(H,38,43)/t30?,32-,33?/m1/s1
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3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186127
PNG
(CHEMBL378408 | N-[(R)-2-{4-[2-(acetyl-ethyl-amino)...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)C(C)=O
Show InChI InChI=1S/C35H48ClN5O3/c1-3-39(25(2)42)24-33(27-9-5-4-6-10-27)40-17-19-41(20-18-40)35(44)32(21-26-13-15-29(36)16-14-26)38-34(43)23-30-22-28-11-7-8-12-31(28)37-30/h7-8,11-16,27,30,32-33,37H,3-6,9-10,17-24H2,1-2H3,(H,38,43)/t30?,32-,33?/m1/s1
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3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186121
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-(1-cyclopentyl-...)
Show SMILES CCN(CC)CC(C1CCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H48ClN5O2/c1-3-38(4-2)24-32(26-9-5-6-10-26)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-27-11-7-8-12-28(27)23-36-30/h7-8,11-16,26,30-32,36H,3-6,9-10,17-24H2,1-2H3,(H,37,41)/t30-,31-,32?/m1/s1
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4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186131
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-(1-cyclohexyl-2...)
Show SMILES CCN(CC)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C35H50ClN5O2/c1-3-39(4-2)25-33(27-10-6-5-7-11-27)40-18-20-41(21-19-40)35(43)32(22-26-14-16-30(36)17-15-26)38-34(42)31-23-28-12-8-9-13-29(28)24-37-31/h8-9,12-17,27,31-33,37H,3-7,10-11,18-25H2,1-2H3,(H,38,42)/t31-,32-,33?/m1/s1
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4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186863
PNG
(CHEMBL379497 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC)CC(CC1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H52ClN5O2/c1-3-40(4-2)26-31(22-27-10-6-5-7-11-27)41-18-20-42(21-19-41)36(44)34(23-28-14-16-30(37)17-15-28)39-35(43)24-33-32-13-9-8-12-29(32)25-38-33/h8-9,12-17,27,31,33-34,38H,3-7,10-11,18-26H2,1-2H3,(H,39,43)/t31?,33?,34-/m1/s1
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5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186128
PNG
(CHEMBL209990 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1
Show InChI InChI=1S/C35H50ClN5O2/c1-3-39(4-2)25-33(27-10-6-5-7-11-27)40-18-20-41(21-19-40)35(43)32(22-26-14-16-29(36)17-15-26)38-34(42)24-30-23-28-12-8-9-13-31(28)37-30/h8-9,12-17,27,30,32-33,37H,3-7,10-11,18-25H2,1-2H3,(H,38,42)/t30?,32-,33?/m1/s1
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5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186125
PNG
(CHEMBL377825 | N-((R)-3-(4-chlorophenyl)-1-(4-(3-c...)
Show SMILES CCN(CC)CC(CC1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1
Show InChI InChI=1S/C36H52ClN5O2/c1-3-40(4-2)26-32(22-27-10-6-5-7-11-27)41-18-20-42(21-19-41)36(44)34(23-28-14-16-30(37)17-15-28)39-35(43)25-31-24-29-12-8-9-13-33(29)38-31/h8-9,12-17,27,31-32,34,38H,3-7,10-11,18-26H2,1-2H3,(H,39,43)/t31?,32?,34-/m1/s1
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5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186128
PNG
(CHEMBL209990 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1
Show InChI InChI=1S/C35H50ClN5O2/c1-3-39(4-2)25-33(27-10-6-5-7-11-27)40-18-20-41(21-19-40)35(43)32(22-26-14-16-29(36)17-15-26)38-34(42)24-30-23-28-12-8-9-13-31(28)37-30/h8-9,12-17,27,30,32-33,37H,3-7,10-11,18-25H2,1-2H3,(H,38,42)/t30?,32-,33?/m1/s1
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5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177564
PNG
(CHEMBL380540 | N-((R)-3-(4-chlorophenyl)-1-(4-(2-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C(C)(C)N1)c1ccccc1F
Show InChI InChI=1S/C37H47ClFN5O2/c1-5-42(6-2)25-34(29-12-8-10-14-31(29)39)43-19-21-44(22-20-43)36(46)33(23-26-15-17-28(38)18-16-26)40-35(45)32-24-27-11-7-9-13-30(27)37(3,4)41-32/h7-18,32-34,41H,5-6,19-25H2,1-4H3,(H,40,45)/t32?,33-,34?/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186124
PNG
(CHEMBL410087 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)S(C)(=O)=O
Show InChI InChI=1S/C34H48ClN5O4S/c1-3-40(45(2,43)44)24-32(26-9-5-4-6-10-26)38-17-19-39(20-18-38)34(42)31(21-25-13-15-28(35)16-14-25)37-33(41)23-29-22-27-11-7-8-12-30(27)36-29/h7-8,11-16,26,29,31-32,36H,3-6,9-10,17-24H2,1-2H3,(H,37,41)/t29?,31-,32?/m1/s1
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6n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186124
PNG
(CHEMBL410087 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)S(C)(=O)=O
Show InChI InChI=1S/C34H48ClN5O4S/c1-3-40(45(2,43)44)24-32(26-9-5-4-6-10-26)38-17-19-39(20-18-38)34(42)31(21-25-13-15-28(35)16-14-25)37-33(41)23-29-22-27-11-7-8-12-30(27)36-29/h7-8,11-16,26,29,31-32,36H,3-6,9-10,17-24H2,1-2H3,(H,37,41)/t29?,31-,32?/m1/s1
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6n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177560
PNG
(CHEMBL206042 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCCc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C36H45Cl2N5O2/c1-3-41(4-2)25-34(30-11-7-8-12-31(30)38)42-19-21-43(22-20-42)36(45)33(23-26-13-15-28(37)16-14-26)40-35(44)24-32-29-10-6-5-9-27(29)17-18-39-32/h5-16,32-34,39H,3-4,17-25H2,1-2H3,(H,40,44)/t32?,33-,34?/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177560
PNG
(CHEMBL206042 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCCc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C36H45Cl2N5O2/c1-3-41(4-2)25-34(30-11-7-8-12-31(30)38)42-19-21-43(22-20-42)36(45)33(23-26-13-15-28(37)16-14-26)40-35(44)24-32-29-10-6-5-9-27(29)17-18-39-32/h5-16,32-34,39H,3-4,17-25H2,1-2H3,(H,40,44)/t32?,33-,34?/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186868
PNG
(CHEMBL213340 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CN1CCC(CC2CCCCC2)(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H50ClN5O2/c1-40-17-15-36(16-18-40,25-28-7-3-2-4-8-28)42-21-19-41(20-22-42)35(44)33(23-27-11-13-30(37)14-12-27)39-34(43)24-32-31-10-6-5-9-29(31)26-38-32/h5-6,9-14,28,32-33,38H,2-4,7-8,15-26H2,1H3,(H,39,43)/t32?,33-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186138
PNG
(CHEMBL425609 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)n1cc2ccccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C33H44ClN5O4S/c1-3-39(44(2,42)43)24-31(26-9-5-4-6-10-26)36-17-19-37(20-18-36)32(40)30(21-25-13-15-29(34)16-14-25)35-33(41)38-22-27-11-7-8-12-28(27)23-38/h7-8,11-16,22-23,26,30-31H,3-6,9-10,17-21,24H2,1-2H3,(H,35,41)/t30-,31?/m1/s1
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7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177563
PNG
(CHEMBL380855 | N-((R)-3-(4-chlorophenyl)-1-(4-(2-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12)c1ccccc1F
Show InChI InChI=1S/C35H43ClFN5O2/c1-3-40(4-2)24-33(29-11-7-8-12-30(29)37)41-17-19-42(20-18-41)35(44)32(21-25-13-15-27(36)16-14-25)39-34(43)22-31-28-10-6-5-9-26(28)23-38-31/h5-16,31-33,38H,3-4,17-24H2,1-2H3,(H,39,43)/t31?,32-,33?/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177557
PNG
(CHEMBL380365 | N-((R)-3-(4-chlorophenyl)-1-(4-(2-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCCc2ccccc12)c1ccccc1F
Show InChI InChI=1S/C36H45ClFN5O2/c1-3-41(4-2)25-34(30-11-7-8-12-31(30)38)42-19-21-43(22-20-42)36(45)33(23-26-13-15-28(37)16-14-26)40-35(44)24-32-29-10-6-5-9-27(29)17-18-39-32/h5-16,32-34,39H,3-4,17-25H2,1-2H3,(H,40,44)/t32?,33-,34?/m1/s1
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186122
PNG
(CHEMBL377313 | N-((R)-3-(4-chlorophenyl)-1-(4-(3-c...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CC2Cc3ccccc3N2)C(=O)N2CCN(CC2)C(CC2CCCCC2)CN2CCOCC2)cc1
Show InChI InChI=1S/C36H50ClN5O3/c37-30-12-10-28(11-13-30)23-34(39-35(43)25-31-24-29-8-4-5-9-33(29)38-31)36(44)42-16-14-41(15-17-42)32(22-27-6-2-1-3-7-27)26-40-18-20-45-21-19-40/h4-5,8-13,27,31-32,34,38H,1-3,6-7,14-26H2,(H,39,43)/t31?,32?,34-/m1/s1
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186120
PNG
(CHEMBL380391 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-(...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CC2Cc3ccccc3N2)C(=O)N2CCN(CC2)C(CNC2CCC2)CC2CCCCC2)cc1
Show InChI InChI=1S/C36H50ClN5O2/c37-29-15-13-27(14-16-29)22-34(40-35(43)24-31-23-28-9-4-5-12-33(28)39-31)36(44)42-19-17-41(18-20-42)32(25-38-30-10-6-11-30)21-26-7-2-1-3-8-26/h4-5,9,12-16,26,30-32,34,38-39H,1-3,6-8,10-11,17-25H2,(H,40,43)/t31?,32?,34-/m1/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186874
PNG
(CHEMBL376999 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCN(C)CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C33H46ClN5O2/c1-24(2)22-33(12-14-37(3)15-13-33)39-18-16-38(17-19-39)32(41)30(20-25-8-10-27(34)11-9-25)36-31(40)21-29-28-7-5-4-6-26(28)23-35-29/h4-11,24,29-30,35H,12-23H2,1-3H3,(H,36,40)/t29?,30-/m1/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186862
PNG
(CHEMBL211260 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCN(CC1)C(C)C)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C35H50ClN5O2/c1-25(2)23-35(13-15-39(16-14-35)26(3)4)41-19-17-40(18-20-41)34(43)32(21-27-9-11-29(36)12-10-27)38-33(42)22-31-30-8-6-5-7-28(30)24-37-31/h5-12,25-26,31-32,37H,13-24H2,1-4H3,(H,38,42)/t31?,32-/m1/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186135
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-(3-cyclohexyl-1...)
Show SMILES CCN(CC)CC(CC1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C36H52ClN5O2/c1-3-40(4-2)26-32(22-27-10-6-5-7-11-27)41-18-20-42(21-19-41)36(44)34(23-28-14-16-31(37)17-15-28)39-35(43)33-24-29-12-8-9-13-30(29)25-38-33/h8-9,12-17,27,32-34,38H,3-7,10-11,18-26H2,1-2H3,(H,39,43)/t32?,33-,34-/m1/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186119
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-(1-cycloheptyl-...)
Show SMILES CCN(CC)CC(C1CCCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C36H52ClN5O2/c1-3-40(4-2)26-34(28-11-7-5-6-8-12-28)41-19-21-42(22-20-41)36(44)33(23-27-15-17-31(37)18-16-27)39-35(43)32-24-29-13-9-10-14-30(29)25-38-32/h9-10,13-18,28,32-34,38H,3-8,11-12,19-26H2,1-2H3,(H,39,43)/t32-,33-,34?/m1/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186133
PNG
(3,4-Dihydro-1H-isoquinoline-2-carboxylic acid ((R)...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CCc2ccccc2C1)c1ccccc1F
Show InChI InChI=1S/C35H43ClFN5O2/c1-3-39(4-2)25-33(30-11-7-8-12-31(30)37)40-19-21-41(22-20-40)34(43)32(23-26-13-15-29(36)16-14-26)38-35(44)42-18-17-27-9-5-6-10-28(27)24-42/h5-16,32-33H,3-4,17-25H2,1-2H3,(H,38,44)/t32-,33?/m1/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50174056
PNG
(CHEMBL381015 | Diethyl-[(S)-2-(2-fluoro-phenyl)-2-...)
Show SMILES CCN(CC)C[C@@H](N1CCN(C)CC1)c1ccccc1F
Show InChI InChI=1S/C17H28FN3/c1-4-20(5-2)14-17(15-8-6-7-9-16(15)18)21-12-10-19(3)11-13-21/h6-9,17H,4-5,10-14H2,1-3H3/t17-/m1/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139027
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H42ClN5O2/c1-3-38(4-2)24-28-11-7-8-12-32(28)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-26-9-5-6-10-27(26)23-36-30/h5-16,30-31,36H,3-4,17-24H2,1-2H3,(H,37,41)/t30-,31-/m1/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186865
PNG
(CHEMBL211202 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(1-...)
Show SMILES CCN1CCC(CC(C)C)(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C34H48ClN5O2/c1-4-38-15-13-34(14-16-38,23-25(2)3)40-19-17-39(18-20-40)33(42)31(21-26-9-11-28(35)12-10-26)37-32(41)22-30-29-8-6-5-7-27(29)24-36-30/h5-12,25,30-31,36H,4,13-24H2,1-3H3,(H,37,41)/t30?,31-/m1/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177565
PNG
(CHEMBL380858 | N-((R)-3-(4-chlorophenyl)-1-(4-(2-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1N(C)Cc2ccccc12)c1ccccc1F
Show InChI InChI=1S/C36H45ClFN5O2/c1-4-41(5-2)25-34(30-12-8-9-13-31(30)38)42-18-20-43(21-19-42)36(45)32(22-26-14-16-28(37)17-15-26)39-35(44)23-33-29-11-7-6-10-27(29)24-40(33)3/h6-17,32-34H,4-5,18-25H2,1-3H3,(H,39,44)/t32-,33?,34?/m1/s1
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17n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186132
PNG
(CHEMBL378411 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CC2Cc3ccccc3N2)C(=O)N2CCN(CC2)C(CN2C(=O)CCC2=O)C2CCCCC2)cc1
Show InChI InChI=1S/C35H44ClN5O4/c36-27-12-10-24(11-13-27)20-30(38-32(42)22-28-21-26-8-4-5-9-29(26)37-28)35(45)40-18-16-39(17-19-40)31(25-6-2-1-3-7-25)23-41-33(43)14-15-34(41)44/h4-5,8-13,25,28,30-31,37H,1-3,6-7,14-23H2,(H,38,42)/t28?,30-,31?/m1/s1
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186132
PNG
(CHEMBL378411 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CC2Cc3ccccc3N2)C(=O)N2CCN(CC2)C(CN2C(=O)CCC2=O)C2CCCCC2)cc1
Show InChI InChI=1S/C35H44ClN5O4/c36-27-12-10-24(11-13-27)20-30(38-32(42)22-28-21-26-8-4-5-9-29(26)37-28)35(45)40-18-16-39(17-19-40)31(25-6-2-1-3-7-25)23-41-33(43)14-15-34(41)44/h4-5,8-13,25,28,30-31,37H,1-3,6-7,14-23H2,(H,38,42)/t28?,30-,31?/m1/s1
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186126
PNG
(CHEMBL379051 | N-((R)-3-(4-chlorophenyl)-1-(4-(2,6...)
Show SMILES CC(C)CC(CC(C)C)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1
Show InChI InChI=1S/C32H45ClN4O2/c1-22(2)17-28(18-23(3)4)36-13-15-37(16-14-36)32(39)30(19-24-9-11-26(33)12-10-24)35-31(38)21-27-20-25-7-5-6-8-29(25)34-27/h5-12,22-23,27-28,30,34H,13-21H2,1-4H3,(H,35,38)/t27?,30-/m1/s1
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177561
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-(2-(diethylamin...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)c1ccccc1F
Show InChI InChI=1S/C35H43ClFN5O2/c1-3-40(4-2)24-33(29-11-7-8-12-30(29)37)41-17-19-42(20-18-41)35(44)32(21-25-13-15-28(36)16-14-25)39-34(43)31-22-26-9-5-6-10-27(26)23-38-31/h5-16,31-33,38H,3-4,17-24H2,1-2H3,(H,39,43)/t31-,32-,33?/m1/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50174055
PNG
(CHEMBL198379 | Diethyl-[2-(2-fluoro-phenyl)-2-(4-m...)
Show SMILES CCN(CC)CC(N1CCN(C)CC1)c1ccccc1F
Show InChI InChI=1S/C17H28FN3/c1-4-20(5-2)14-17(15-8-6-7-9-16(15)18)21-12-10-19(3)11-13-21/h6-9,17H,4-5,10-14H2,1-3H3
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139046
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CN2CCCC2)cc1
Show InChI InChI=1S/C34H40ClN5O2/c35-29-13-11-25(12-14-29)21-31(37-33(41)30-22-26-7-1-2-8-27(26)23-36-30)34(42)40-19-17-39(18-20-40)32-10-4-3-9-28(32)24-38-15-5-6-16-38/h1-4,7-14,30-31,36H,5-6,15-24H2,(H,37,41)/t30-,31-/m1/s1
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24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic potency towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186134
PNG
(CHEMBL209559 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CS(=O)(=O)NCC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1
Show InChI InChI=1S/C32H44ClN5O4S/c1-43(41,42)34-22-30(24-7-3-2-4-8-24)37-15-17-38(18-16-37)32(40)29(19-23-11-13-26(33)14-12-23)36-31(39)21-27-20-25-9-5-6-10-28(25)35-27/h5-6,9-14,24,27,29-30,34-35H,2-4,7-8,15-22H2,1H3,(H,36,39)/t27?,29-,30?/m1/s1
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26n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139032
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CN2CCCCC2)cc1
Show InChI InChI=1S/C35H42ClN5O2/c36-30-14-12-26(13-15-30)22-32(38-34(42)31-23-27-8-2-3-9-28(27)24-37-31)35(43)41-20-18-40(19-21-41)33-11-5-4-10-29(33)25-39-16-6-1-7-17-39/h2-5,8-15,31-32,37H,1,6-7,16-25H2,(H,38,42)/t31-,32-/m1/s1
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27n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic potency towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186869
PNG
(CHEMBL375388 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCN(CC1)S(C)(=O)=O)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C33H46ClN5O4S/c1-24(2)22-33(12-14-39(15-13-33)44(3,42)43)38-18-16-37(17-19-38)32(41)30(20-25-8-10-27(34)11-9-25)36-31(40)21-29-28-7-5-4-6-26(28)23-35-29/h4-11,24,29-30,35H,12-23H2,1-3H3,(H,36,40)/t29?,30-/m1/s1
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27n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186861
PNG
(CHEMBL213940 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)CC1(CCOCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C32H43ClN4O3/c1-23(2)21-32(11-17-40-18-12-32)37-15-13-36(14-16-37)31(39)29(19-24-7-9-26(33)10-8-24)35-30(38)20-28-27-6-4-3-5-25(27)22-34-28/h3-10,23,28-29,34H,11-22H2,1-2H3,(H,35,38)/t28?,29-/m1/s1
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31n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139027
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H42ClN5O2/c1-3-38(4-2)24-28-11-7-8-12-32(28)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-26-9-5-6-10-27(26)23-36-30/h5-16,30-31,36H,3-4,17-24H2,1-2H3,(H,37,41)/t30-,31-/m1/s1
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34n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic potency towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186130
PNG
(CHEMBL211078 | N-((R)-3-(4-chlorophenyl)-1-(4-(dic...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CC2Cc3ccccc3N2)C(=O)N2CCN(CC2)C(C2CCCCC2)C2CCCCC2)cc1
Show InChI InChI=1S/C36H49ClN4O2/c37-30-17-15-26(16-18-30)23-33(39-34(42)25-31-24-29-13-7-8-14-32(29)38-31)36(43)41-21-19-40(20-22-41)35(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h7-8,13-18,27-28,31,33,35,38H,1-6,9-12,19-25H2,(H,39,42)/t31?,33-/m1/s1
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35n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139043
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CCCN(CCC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C36H46ClN5O2/c1-3-17-40(18-4-2)26-30-11-7-8-12-34(30)41-19-21-42(22-20-41)36(44)33(23-27-13-15-31(37)16-14-27)39-35(43)32-24-28-9-5-6-10-29(28)25-38-32/h5-16,32-33,38H,3-4,17-26H2,1-2H3,(H,39,43)/t32-,33-/m1/s1
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35n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor using [125I]NDP-alpha-MSH as a radioligand in HEK293 cells


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186864
PNG
(CHEMBL373735 | N-[(R)-2-[4-(1-acetyl-4-isobutyl-pi...)
Show SMILES CC(C)CC1(CCN(CC1)C(C)=O)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C34H46ClN5O3/c1-24(2)22-34(12-14-38(15-13-34)25(3)41)40-18-16-39(17-19-40)33(43)31(20-26-8-10-28(35)11-9-26)37-32(42)21-30-29-7-5-4-6-27(29)23-36-30/h4-11,24,30-31,36H,12-23H2,1-3H3,(H,37,42)/t30?,31-/m1/s1
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38n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50174050
PNG
(CHEMBL365184 | Diethyl-[2-(4-methyl-piperazin-1-yl...)
Show SMILES CCN(CC)CC(N1CCN(C)CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H28F3N3/c1-4-23(5-2)14-17(24-12-10-22(3)11-13-24)15-8-6-7-9-16(15)18(19,20)21/h6-9,17H,4-5,10-14H2,1-3H3
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50174062
PNG
(CHEMBL371896 | Diethyl-[2-(4-methyl-piperazin-1-yl...)
Show SMILES CCN(CC)CC(Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C18H31N3/c1-4-20(5-2)16-18(15-17-9-7-6-8-10-17)21-13-11-19(3)12-14-21/h6-10,18H,4-5,11-16H2,1-3H3
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177561
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-(2-(diethylamin...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)c1ccccc1F
Show InChI InChI=1S/C35H43ClFN5O2/c1-3-40(4-2)24-33(29-11-7-8-12-30(29)37)41-17-19-42(20-18-41)35(44)32(21-25-13-15-28(36)16-14-25)39-34(43)31-22-26-9-5-6-10-27(26)23-38-31/h5-16,31-33,38H,3-4,17-24H2,1-2H3,(H,39,43)/t31-,32-,33?/m1/s1
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41n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186871
PNG
(CHEMBL211032 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CC(C)C1(CCN(C)CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C32H44ClN5O2/c1-23(2)32(12-14-36(3)15-13-32)38-18-16-37(17-19-38)31(40)29(20-24-8-10-26(33)11-9-24)35-30(39)21-28-27-7-5-4-6-25(27)22-34-28/h4-11,23,28-29,34H,12-22H2,1-3H3,(H,35,39)/t28?,29-/m1/s1
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42n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186867
PNG
(CHEMBL378415 | N-[(R)-2-[4-(4-benzyl-1-methyl-pipe...)
Show SMILES CN1CCC(Cc2ccccc2)(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H44ClN5O2/c1-40-17-15-36(16-18-40,25-28-7-3-2-4-8-28)42-21-19-41(20-22-42)35(44)33(23-27-11-13-30(37)14-12-27)39-34(43)24-32-31-10-6-5-9-29(31)26-38-32/h2-14,32-33,38H,15-26H2,1H3,(H,39,43)/t32?,33-/m1/s1
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44n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186875
PNG
(CHEMBL375389 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(1-...)
Show SMILES CC(C)CC1(CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C33H45ClN4O2/c1-24(2)22-33(14-6-3-7-15-33)38-18-16-37(17-19-38)32(40)30(20-25-10-12-27(34)13-11-25)36-31(39)21-29-28-9-5-4-8-26(28)23-35-29/h4-5,8-13,24,29-30,35H,3,6-7,14-23H2,1-2H3,(H,36,39)/t29?,30-/m1/s1
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47n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50174045
PNG
(CHEMBL373042 | Diethyl-[(R)-2-(4-methyl-piperazin-...)
Show SMILES CCN(CC)C[C@H](N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C17H29N3/c1-4-19(5-2)15-17(16-9-7-6-8-10-16)20-13-11-18(3)12-14-20/h6-10,17H,4-5,11-15H2,1-3H3/t17-/m0/s1
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50n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
More data for this
Ligand-Target Pair
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