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PubMed code 20207541

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50314765
PNG
(CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50314767
PNG
(CHEMBL1093307 | trans-N-(2-((S)-1'-((3R,4S)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in CHO cells

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50314766
PNG
(CHEMBL1093306 | trans-N-(2-((R)-1'-((3R,4S)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in CHO cells

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50314767
PNG
(CHEMBL1093307 | trans-N-(2-((S)-1'-((3R,4S)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50314767
PNG
(CHEMBL1093307 | trans-N-(2-((S)-1'-((3R,4S)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m1/s1
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n/an/an/an/a 620n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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n/an/an/an/a 997n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat MC3R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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n/an/an/an/a 351n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50314766
PNG
(CHEMBL1093306 | trans-N-(2-((R)-1'-((3R,4S)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28-/m1/s1
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n/an/an/an/a 94n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50314765
PNG
(CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28-/m0/s1
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n/an/an/an/a 228n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
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antibodypedia
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n/an/an/an/a 1.02E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50314764
PNG
(CHEMBL1093304 | trans-N-(2-((R)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50314765
PNG
(CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...)
Show SMILES CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 2106-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.058
BindingDB Entry DOI: 10.7270/Q2QC03NP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%