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PubMed code 15951175

Compile data set for download or QSAR
Found 28 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))		BDBM50168724
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168725
PNG
(1-[2-[((R)-3-Amino-1,2,3,4-tetrahydro-naphthalene-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CC1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(27-11-5-4-6-12-27)17-19-41(20-18-36)33(43)31(21-24-13-15-28(37)16-14-24)39-32(42)29-22-25-9-7-8-10-26(25)23-30(29)38/h7-10,13-16,27,29-31H,4-6,11-12,17-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29?,30?,31-/m1/s1
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n/an/a 0.560n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168726
PNG
(1-[(R)-2-[((1R,2R)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCc2ccccc2[C@@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30-,31+/m1/s1
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n/an/a 0.770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024350
PNG
(CHEMBL2113041)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCCc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-36(2,3)41-35(45)37(27-12-5-4-6-13-27)20-22-42(23-21-37)34(44)31(24-25-16-18-28(38)19-17-25)40-33(43)30-15-9-11-26-10-7-8-14-29(26)32(30)39/h7-8,10,14,16-19,27,30-32H,4-6,9,11-13,15,20-24,39H2,1-3H3,(H,40,43)(H,41,45)/t30?,31-,32?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168727
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1-methyl-1,2,3,4-tetrah...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@@]1(C)N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-35(2,3)41-34(45)37(27-11-6-5-7-12-27)20-22-42(23-21-37)33(44)31(24-25-14-17-28(38)18-15-25)40-32(43)30-19-16-26-10-8-9-13-29(26)36(30,4)39/h8-10,13-15,17-18,27,30-31H,5-7,11-12,16,19-24,39H2,1-4H3,(H,40,43)(H,41,45)/t30-,31-,36-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168723
PNG
(1-[2-[((R)-1-Amino-indane-2-carbonyl)-amino]-3-(4-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C35H47ClN4O3/c1-34(2,3)39-33(43)35(25-10-5-4-6-11-25)17-19-40(20-18-35)32(42)29(21-23-13-15-26(36)16-14-23)38-31(41)28-22-24-9-7-8-12-27(24)30(28)37/h7-9,12-16,25,28-30H,4-6,10-11,17-22,37H2,1-3H3,(H,38,41)(H,39,43)/t28?,29-,30?/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50168726
PNG
(1-[(R)-2-[((1R,2R)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCc2ccccc2[C@@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30-,31+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50168727
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1-methyl-1,2,3,4-tetrah...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@@]1(C)N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-35(2,3)41-34(45)37(27-11-6-5-7-12-27)20-22-42(23-21-37)33(44)31(24-25-14-17-28(38)18-15-25)40-32(43)30-19-16-26-10-8-9-13-29(26)36(30,4)39/h8-10,13-15,17-18,27,30-31H,5-7,11-12,16,19-24,39H2,1-4H3,(H,40,43)(H,41,45)/t30-,31-,36-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50168726
PNG
(1-[(R)-2-[((1R,2R)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCc2ccccc2[C@@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30-,31+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50168723
PNG
(1-[2-[((R)-1-Amino-indane-2-carbonyl)-amino]-3-(4-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C35H47ClN4O3/c1-34(2,3)39-33(43)35(25-10-5-4-6-11-25)17-19-40(20-18-35)32(42)29(21-23-13-15-26(36)16-14-23)38-31(41)28-22-24-9-7-8-12-27(24)30(28)37/h7-9,12-16,25,28-30H,4-6,10-11,17-22,37H2,1-3H3,(H,38,41)(H,39,43)/t28?,29-,30?/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50168725
PNG
(1-[2-[((R)-3-Amino-1,2,3,4-tetrahydro-naphthalene-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CC1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(27-11-5-4-6-12-27)17-19-41(20-18-36)33(43)31(21-24-13-15-28(37)16-14-24)39-32(42)29-22-25-9-7-8-10-26(25)23-30(29)38/h7-10,13-16,27,29-31H,4-6,11-12,17-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29?,30?,31-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50168725
PNG
(1-[2-[((R)-3-Amino-1,2,3,4-tetrahydro-naphthalene-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CC1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(27-11-5-4-6-12-27)17-19-41(20-18-36)33(43)31(21-24-13-15-28(37)16-14-24)39-32(42)29-22-25-9-7-8-10-26(25)23-30(29)38/h7-10,13-16,27,29-31H,4-6,11-12,17-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29?,30?,31-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50024350
PNG
(CHEMBL2113041)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCCc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-36(2,3)41-35(45)37(27-12-5-4-6-13-27)20-22-42(23-21-37)34(44)31(24-25-16-18-28(38)19-17-25)40-33(43)30-15-9-11-26-10-7-8-14-29(26)32(30)39/h7-8,10,14,16-19,27,30-32H,4-6,9,11-13,15,20-24,39H2,1-3H3,(H,40,43)(H,41,45)/t30?,31-,32?/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50168724
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50168723
PNG
(1-[2-[((R)-1-Amino-indane-2-carbonyl)-amino]-3-(4-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C35H47ClN4O3/c1-34(2,3)39-33(43)35(25-10-5-4-6-11-25)17-19-40(20-18-35)32(42)29(21-23-13-15-26(36)16-14-23)38-31(41)28-22-24-9-7-8-12-27(24)30(28)37/h7-9,12-16,25,28-30H,4-6,10-11,17-22,37H2,1-3H3,(H,38,41)(H,39,43)/t28?,29-,30?/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50024350
PNG
(CHEMBL2113041)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCCc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-36(2,3)41-35(45)37(27-12-5-4-6-13-27)20-22-42(23-21-37)34(44)31(24-25-16-18-28(38)19-17-25)40-33(43)30-15-9-11-26-10-7-8-14-29(26)32(30)39/h7-8,10,14,16-19,27,30-32H,4-6,9,11-13,15,20-24,39H2,1-3H3,(H,40,43)(H,41,45)/t30?,31-,32?/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50168724
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50168727
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1-methyl-1,2,3,4-tetrah...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@@]1(C)N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-35(2,3)41-34(45)37(27-11-6-5-7-12-27)20-22-42(23-21-37)33(44)31(24-25-14-17-28(38)18-15-25)40-32(43)30-19-16-26-10-8-9-13-29(26)36(30,4)39/h8-10,13-15,17-18,27,30-31H,5-7,11-12,16,19-24,39H2,1-4H3,(H,40,43)(H,41,45)/t30-,31-,36-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50024350
PNG
(CHEMBL2113041)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCCc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-36(2,3)41-35(45)37(27-12-5-4-6-13-27)20-22-42(23-21-37)34(44)31(24-25-16-18-28(38)19-17-25)40-33(43)30-15-9-11-26-10-7-8-14-29(26)32(30)39/h7-8,10,14,16-19,27,30-32H,4-6,9,11-13,15,20-24,39H2,1-3H3,(H,40,43)(H,41,45)/t30?,31-,32?/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/a 326n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50168724
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50168727
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1-methyl-1,2,3,4-tetrah...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@@]1(C)N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-35(2,3)41-34(45)37(27-11-6-5-7-12-27)20-22-42(23-21-37)33(44)31(24-25-14-17-28(38)18-15-25)40-32(43)30-19-16-26-10-8-9-13-29(26)36(30,4)39/h8-10,13-15,17-18,27,30-31H,5-7,11-12,16,19-24,39H2,1-4H3,(H,40,43)(H,41,45)/t30-,31-,36-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/a 761n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50168725
PNG
(1-[2-[((R)-3-Amino-1,2,3,4-tetrahydro-naphthalene-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CC1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(27-11-5-4-6-12-27)17-19-41(20-18-36)33(43)31(21-24-13-15-28(37)16-14-24)39-32(42)29-22-25-9-7-8-10-26(25)23-30(29)38/h7-10,13-16,27,29-31H,4-6,11-12,17-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29?,30?,31-/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50168726
PNG
(1-[(R)-2-[((1R,2R)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCc2ccccc2[C@@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30-,31+/m1/s1
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n/an/a 980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50168723
PNG
(1-[2-[((R)-1-Amino-indane-2-carbonyl)-amino]-3-(4-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C35H47ClN4O3/c1-34(2,3)39-33(43)35(25-10-5-4-6-11-25)17-19-40(20-18-35)32(42)29(21-23-13-15-26(36)16-14-23)38-31(41)28-22-24-9-7-8-12-27(24)30(28)37/h7-9,12-16,25,28-30H,4-6,10-11,17-22,37H2,1-3H3,(H,38,41)(H,39,43)/t28?,29-,30?/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/a 2.06E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%