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PubMed code 20172734

Compile data set for download or QSAR
Found 22 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))		BDBM50308321
PNG
((S)-2-[2,4-Dioxo-3-(6-fluoro-1H-indazol-3-ylmethyl...)
Show SMILES CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccccc1 |r,c:8|
Show InChI InChI=1S/C30H28FN5O3/c1-20(2)36(23-11-7-4-8-12-23)28(37)19-34-15-16-35(22-9-5-3-6-10-22)30(39)25(29(34)38)18-27-24-14-13-21(31)17-26(24)32-33-27/h3-17,20,25H,18-19H2,1-2H3,(H,32,33)/t25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308330
PNG
((+/-)-2-(6-((1H-indazol-3-yl)methyl)-6-methoxy-5,7...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(Cc2cccs2)C(=O)C(Cc2n[nH]c3ccccc23)(OC)C1=O |c:17|
Show InChI InChI=1S/C31H33N5O5S/c1-21(2)36(22-11-13-23(40-3)14-12-22)28(37)20-35-16-15-34(19-24-8-7-17-42-24)29(38)31(41-4,30(35)39)18-27-25-9-5-6-10-26(25)32-33-27/h5-17,21H,18-20H2,1-4H3,(H,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308326
PNG
((+/-)-N-(1-methylethyl)-2-{6-[(1-methyl-1H-indazol...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2nn(C)c3ccccc23)C1=O |c:17|
Show InChI InChI=1S/C32H33N5O4/c1-22(2)37(24-14-16-25(41-4)17-15-24)30(38)21-35-18-19-36(23-10-6-5-7-11-23)32(40)27(31(35)39)20-28-26-12-8-9-13-29(26)34(3)33-28/h5-19,22,27H,20-21H2,1-4H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308327
PNG
((+/-)-2-{6-[(1-Ethyl-1H-indazol-3-yl)methyl]-5,7-d...)
Show SMILES CCn1nc(CC2(OC)C(=O)N(CC(=O)N(C(C)C)c3ccc(OC)cc3)C=CN(c3ccccc3)C2=O)c2ccccc12 |c:28|
Show InChI InChI=1S/C34H37N5O5/c1-6-38-30-15-11-10-14-28(30)29(35-38)22-34(44-5)32(41)36(20-21-37(33(34)42)25-12-8-7-9-13-25)23-31(40)39(24(2)3)26-16-18-27(43-4)19-17-26/h7-21,24H,6,22-23H2,1-5H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50308327
PNG
((+/-)-2-{6-[(1-Ethyl-1H-indazol-3-yl)methyl]-5,7-d...)
Show SMILES CCn1nc(CC2(OC)C(=O)N(CC(=O)N(C(C)C)c3ccc(OC)cc3)C=CN(c3ccccc3)C2=O)c2ccccc12 |c:28|
Show InChI InChI=1S/C34H37N5O5/c1-6-38-30-15-11-10-14-28(30)29(35-38)22-34(44-5)32(41)36(20-21-37(33(34)42)25-12-8-7-9-13-25)23-31(40)39(24(2)3)26-16-18-27(43-4)19-17-26/h7-21,24H,6,22-23H2,1-5H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308319
PNG
((S)-2-[2,4-Dioxo-3-(1H-indazol-3-ylmethylene)-5-ph...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3ccccc23)C1=O |r,c:17|
Show InChI InChI=1S/C31H31N5O4/c1-21(2)36(23-13-15-24(40-3)16-14-23)29(37)20-34-17-18-35(22-9-5-4-6-10-22)31(39)26(30(34)38)19-28-25-11-7-8-12-27(25)32-33-28/h4-18,21,26H,19-20H2,1-3H3,(H,32,33)/t26-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308320
PNG
((S)-2-[2,4-Dioxo-3-(1H-indazol-3-ylmethylene)-5-ph...)
Show SMILES CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 |r,c:8|
Show InChI InChI=1S/C30H29N5O3/c1-21(2)35(23-13-7-4-8-14-23)28(36)20-33-17-18-34(22-11-5-3-6-12-22)30(38)25(29(33)37)19-27-24-15-9-10-16-26(24)31-32-27/h3-18,21,25H,19-20H2,1-2H3,(H,31,32)/t25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50308321
PNG
((S)-2-[2,4-Dioxo-3-(6-fluoro-1H-indazol-3-ylmethyl...)
Show SMILES CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccccc1 |r,c:8|
Show InChI InChI=1S/C30H28FN5O3/c1-20(2)36(23-11-7-4-8-12-23)28(37)19-34-15-16-35(22-9-5-3-6-10-22)30(39)25(29(34)38)18-27-24-14-13-21(31)17-26(24)32-33-27/h3-17,20,25H,18-19H2,1-2H3,(H,32,33)/t25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308323
PNG
((+/-)-2-[4-Cyclohexyl-5,7-dioxo-6-(phenylmethyl)-4...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(C2CCCCC2)C(=O)C(Cc2ccccc2)C1=O |c:17|
Show InChI InChI=1S/C30H37N3O4/c1-22(2)33(25-14-16-26(37-3)17-15-25)28(34)21-31-18-19-32(24-12-8-5-9-13-24)30(36)27(29(31)35)20-23-10-6-4-7-11-23/h4,6-7,10-11,14-19,22,24,27H,5,8-9,12-13,20-21H2,1-3H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50308323
PNG
((+/-)-2-[4-Cyclohexyl-5,7-dioxo-6-(phenylmethyl)-4...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(C2CCCCC2)C(=O)C(Cc2ccccc2)C1=O |c:17|
Show InChI InChI=1S/C30H37N3O4/c1-22(2)33(25-14-16-26(37-3)17-15-25)28(34)21-31-18-19-32(24-12-8-5-9-13-24)30(36)27(29(31)35)20-23-10-6-4-7-11-23/h4,6-7,10-11,14-19,22,24,27H,5,8-9,12-13,20-21H2,1-3H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50308328
PNG
((+/-)-Phenyl hydrogen{[6-(1H-indazol-3-ylmethyl)-5...)
Show SMILES OP(=O)(CC(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)Oc1ccccc1 |c:8|
Show InChI InChI=1S/C28H25N4O6P/c33-21(19-39(36,37)38-22-11-5-2-6-12-22)18-31-15-16-32(20-9-3-1-4-10-20)28(35)24(27(31)34)17-26-23-13-7-8-14-25(23)29-30-26/h1-16,24H,17-19H2,(H,29,30)(H,36,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308329
PNG
((+/-)-2-[6-(1H-Indazol-3-ylmethyl)-5,7-dioxo-4-phe...)
Show SMILES CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(cc1)N1CCOCC1 |c:8|
Show InChI InChI=1S/C34H36N6O4/c1-24(2)40(27-14-12-25(13-15-27)37-18-20-44-21-19-37)32(41)23-38-16-17-39(26-8-4-3-5-9-26)34(43)29(33(38)42)22-31-28-10-6-7-11-30(28)35-36-31/h3-17,24,29H,18-23H2,1-2H3,(H,35,36)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50308320
PNG
((S)-2-[2,4-Dioxo-3-(1H-indazol-3-ylmethylene)-5-ph...)
Show SMILES CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 |r,c:8|
Show InChI InChI=1S/C30H29N5O3/c1-21(2)35(23-13-7-4-8-14-23)28(36)20-33-17-18-34(22-11-5-3-6-12-22)30(38)25(29(33)37)19-27-24-15-9-10-16-26(24)31-32-27/h3-18,21,25H,19-20H2,1-2H3,(H,31,32)/t25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308331
PNG
((+/-)-2-[6-(1H-Indazol-3-ylmethyl)-5,7-dioxo-4-(ph...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(Cc2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O |c:17|
Show InChI InChI=1S/C32H33N5O4/c1-22(2)37(24-13-15-25(41-3)16-14-24)30(38)21-36-18-17-35(20-23-9-5-4-6-10-23)31(39)27(32(36)40)19-29-26-11-7-8-12-28(26)33-34-29/h4-18,22,27H,19-21H2,1-3H3,(H,33,34)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50378664
PNG
(CHEMBL1237150)
Show SMILES CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 |c:8|
Show InChI InChI=1S/C30H29N5O4/c1-20(2)35(22-12-14-23(36)15-13-22)28(37)19-33-16-17-34(21-8-4-3-5-9-21)30(39)25(29(33)38)18-27-24-10-6-7-11-26(24)31-32-27/h3-17,20,25,36H,18-19H2,1-2H3,(H,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50308325
PNG
((+/-)-Diphenyl{[6-(1H-indazol-3-ylmethyl)-5,7-diox...)
Show SMILES O=C(CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)CP(=O)(Oc1ccccc1)Oc1ccccc1 |c:4|
Show InChI InChI=1S/C34H29N4O6P/c39-26(24-45(42,43-27-14-6-2-7-15-27)44-28-16-8-3-9-17-28)23-37-20-21-38(25-12-4-1-5-13-25)34(41)30(33(37)40)22-32-29-18-10-11-19-31(29)35-36-32/h1-21,30H,22-24H2,(H,35,36)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308328
PNG
((+/-)-Phenyl hydrogen{[6-(1H-indazol-3-ylmethyl)-5...)
Show SMILES OP(=O)(CC(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)Oc1ccccc1 |c:8|
Show InChI InChI=1S/C28H25N4O6P/c33-21(19-39(36,37)38-22-11-5-2-6-12-22)18-31-15-16-32(20-9-3-1-4-10-20)28(35)24(27(31)34)17-26-23-13-7-8-14-25(23)29-30-26/h1-16,24H,17-19H2,(H,29,30)(H,36,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308324
PNG
((+/-)-2-[4-Cyclohexyl-6-(1H-indazol-3-ylmethyl)-5,...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(C2CCCCC2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O |c:17|
Show InChI InChI=1S/C31H37N5O4/c1-21(2)36(23-13-15-24(40-3)16-14-23)29(37)20-34-17-18-35(22-9-5-4-6-10-22)31(39)26(30(34)38)19-28-25-11-7-8-12-27(25)32-33-28/h7-8,11-18,21-22,26H,4-6,9-10,19-20H2,1-3H3,(H,32,33)
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n/an/an/an/a 3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50308326
PNG
((+/-)-N-(1-methylethyl)-2-{6-[(1-methyl-1H-indazol...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2nn(C)c3ccccc23)C1=O |c:17|
Show InChI InChI=1S/C32H33N5O4/c1-22(2)37(24-14-16-25(41-4)17-15-24)30(38)21-35-18-19-36(23-10-6-5-7-11-23)32(40)27(31(35)39)20-28-26-12-8-9-13-29(26)34(3)33-28/h5-19,22,27H,20-21H2,1-4H3
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n/an/an/an/a 3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308332
PNG
((+/-)-2-{6-[(6-Fluoro-1H-indazol-3-yl)methyl]-4-me...)
Show SMILES CC(C)N(C(=O)CN1C=CN(C)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccc(F)cc1 |c:8|
Show InChI InChI=1S/C25H25F2N5O3/c1-15(2)32(18-7-4-16(26)5-8-18)23(33)14-31-11-10-30(3)24(34)20(25(31)35)13-22-19-9-6-17(27)12-21(19)28-29-22/h4-12,15,20H,13-14H2,1-3H3,(H,28,29)
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n/an/an/an/a 3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50308325
PNG
((+/-)-Diphenyl{[6-(1H-indazol-3-ylmethyl)-5,7-diox...)
Show SMILES O=C(CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)CP(=O)(Oc1ccccc1)Oc1ccccc1 |c:4|
Show InChI InChI=1S/C34H29N4O6P/c39-26(24-45(42,43-27-14-6-2-7-15-27)44-28-16-8-3-9-17-28)23-37-20-21-38(25-12-4-1-5-13-25)34(41)30(33(37)40)22-32-29-18-10-11-19-31(29)35-36-32/h1-21,30H,22-24H2,(H,35,36)
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n/an/an/an/a 3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50308324
PNG
((+/-)-2-[4-Cyclohexyl-6-(1H-indazol-3-ylmethyl)-5,...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(C2CCCCC2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O |c:17|
Show InChI InChI=1S/C31H37N5O4/c1-21(2)36(23-13-15-24(40-3)16-14-23)29(37)20-34-17-18-35(22-9-5-4-6-10-22)31(39)26(30(34)38)19-28-25-11-7-8-12-27(25)32-33-28/h7-8,11-18,21-22,26H,4-6,9-10,19-20H2,1-3H3,(H,32,33)
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n/an/an/an/a 3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay

Bioorg Med Chem 18: 1822-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.049
BindingDB Entry DOI: 10.7270/Q2W096W7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%