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Compile Data Set for Download or QSAR

Found 123 hits of ec50 for UniProtKB: P70596   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50521263
PNG
(CHEMBL4541658)
Show SMILES COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)C(C)(C)C(O)=O)CC1 |r,wU:9.9,wD:12.13,21.23,(55.27,-7.61,;56.61,-8.37,;57.94,-7.59,;57.93,-6.04,;59.27,-5.27,;60.6,-6.03,;61.93,-5.26,;60.6,-7.58,;59.28,-8.35,;61.93,-8.34,;63.26,-7.56,;64.59,-8.34,;64.59,-9.88,;65.93,-10.65,;67.26,-9.88,;68.59,-10.65,;68.59,-12.19,;69.92,-12.96,;71.25,-12.19,;71.25,-10.65,;69.92,-9.88,;72.58,-9.87,;72.58,-8.33,;73.34,-7,;71.8,-7,;73.91,-10.63,;74.68,-11.96,;73.14,-11.96,;75.25,-9.87,;76.59,-10.63,;75.25,-8.32,;63.26,-10.64,;61.93,-9.88,)|
Show InChI InChI=1S/C28H35FO4/c1-28(2,27(30)31)26(20-11-12-20)21-5-4-6-23(15-21)33-17-18-7-9-19(10-8-18)24-16-22(32-3)13-14-25(24)29/h4-6,13-16,18-20,26H,7-12,17H2,1-3H3,(H,30,31)/t18-,19-,26-/m0/s1
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n/an/an/an/a 0.310n/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assay

ACS Med Chem Lett 10: 16-21 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00444
BindingDB Entry DOI: 10.7270/Q2X63RBS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50521268
PNG
(CHEMBL4457303)
Show SMILES COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)[C@@](C)(F)C(O)=O)CC1 |r,wU:25.28,9.9,wD:12.13,21.23,(31.08,-28,;32.42,-28.76,;33.75,-27.98,;33.74,-26.43,;35.07,-25.66,;36.41,-26.42,;37.74,-25.65,;36.41,-27.96,;35.09,-28.74,;37.74,-28.73,;39.07,-27.95,;40.4,-28.73,;40.4,-30.27,;41.73,-31.04,;43.07,-30.27,;44.4,-31.04,;44.39,-32.58,;45.72,-33.35,;47.06,-32.58,;47.06,-31.03,;45.73,-30.27,;48.39,-30.26,;48.39,-28.72,;49.15,-27.39,;47.61,-27.39,;49.72,-31.02,;48.95,-32.35,;50.48,-32.35,;51.06,-30.26,;52.4,-31.02,;51.06,-28.71,;39.07,-31.03,;37.74,-30.27,)|
Show InChI InChI=1S/C27H32F2O4/c1-27(29,26(30)31)25(19-10-11-19)20-4-3-5-22(14-20)33-16-17-6-8-18(9-7-17)23-15-21(32-2)12-13-24(23)28/h3-5,12-15,17-19,25H,6-11,16H2,1-2H3,(H,30,31)/t17-,18-,25-,27+/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assay

ACS Med Chem Lett 10: 16-21 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00444
BindingDB Entry DOI: 10.7270/Q2X63RBS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50521266
PNG
(CHEMBL4463571)
Show SMILES COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)CC1 |r,wU:9.9,22.24,wD:12.13,21.28,(3.34,-31.19,;4.68,-31.95,;6.01,-31.17,;6,-29.62,;7.33,-28.85,;8.67,-29.62,;10,-28.84,;8.67,-31.16,;7.35,-31.93,;10,-31.92,;11.33,-31.14,;12.66,-31.92,;12.66,-33.46,;13.99,-34.23,;15.33,-33.46,;16.66,-34.24,;16.65,-35.77,;17.98,-36.54,;19.32,-35.78,;19.32,-34.23,;17.99,-33.46,;20.65,-33.45,;21.98,-34.22,;21.99,-35.76,;23.32,-33.45,;24.66,-34.21,;23.32,-31.91,;20.65,-31.91,;21.41,-30.58,;19.87,-30.59,;11.33,-34.22,;10,-33.46,)|
Show InChI InChI=1S/C27H33FO4/c1-17(27(29)30)26(20-10-11-20)21-4-3-5-23(14-21)32-16-18-6-8-19(9-7-18)24-15-22(31-2)12-13-25(24)28/h3-5,12-15,17-20,26H,6-11,16H2,1-2H3,(H,29,30)/t17-,18-,19-,26-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assay

ACS Med Chem Lett 10: 16-21 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00444
BindingDB Entry DOI: 10.7270/Q2X63RBS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50367219
PNG
(CHEMBL4165147)
Show SMILES [Na;v0+].[#6]-[#8]-c1cc(ccn1)-c1ccc(-[#6@@H]-2-[#6]-[#6]-c3ccc(cc3-[#8]-2)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-2-[#6]-[#6]-2)c(F)c1 |r|
Show InChI InChI=1S/C28H28FNO4.Na/c1-16(28(31)32)27(18-4-5-18)21-6-3-17-8-10-24(34-25(17)14-21)22-9-7-19(13-23(22)29)20-11-12-30-26(15-20)33-2;/h3,6-7,9,11-16,18,24,27H,4-5,8,10H2,1-2H3,(H,31,32);/q;+1/p-1/t16-,24-,27-;/m0./s1
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n/an/an/an/a 0.490n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GPR40 expressed in CHOK1 cells assessed as increase in IP1 accumulation measured after 60 mins by HTRF assay

ACS Med Chem Lett 9: 685-690 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00149
BindingDB Entry DOI: 10.7270/Q29C70ZD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50373472
PNG
(CHEMBL429854)
Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Br)cc1F)C(C)(C)C
Show InChI InChI=1S/C31H40BrClFN3O2/c1-6-29(35-19(2)38)25-16-22(33)8-10-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-9-7-21(32)15-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat MC4R

Bioorg Med Chem Lett 18: 3242-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.049
BindingDB Entry DOI: 10.7270/Q2W37X5S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563845
PNG
(CHEMBL4793371)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(C)c2)cc1 |r,c:26|
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n/an/an/an/a 0.540n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563860
PNG
(CHEMBL4788206)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(cc45)C(F)(F)F)CC3)cc2)cc1 |r|
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n/an/an/an/a 0.590n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563857
PNG
(CHEMBL4797858)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(c5ccccc45)c4ccccc4)CC3)cc2)cc1 |r|
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n/an/an/an/a 0.830n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563858
PNG
(CHEMBL4785057)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5c4cccc5Cl)CC3)cc2)cc1 |r|
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n/an/an/an/a 0.890n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50373487
PNG
(CHEMBL254589)
Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C
Show InChI InChI=1S/C31H40Cl2FN3O2/c1-6-29(35-19(2)38)25-15-21(32)7-9-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-10-8-22(33)16-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29-/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat MC4R

Bioorg Med Chem Lett 18: 3242-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.049
BindingDB Entry DOI: 10.7270/Q2W37X5S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563848
PNG
(CHEMBL4782004)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
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MCE
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n/an/an/an/a 0.930n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563843
PNG
(CHEMBL4798993)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(Cl)c2)cc1 |r,c:26|
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n/an/an/an/a 1n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563849
PNG
(CHEMBL4797124)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cc(C)c(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:27|
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n/an/an/an/a 1.10n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563846
PNG
(CHEMBL4787010)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(c2)C(F)(F)F)cc1 |r,c:26|
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n/an/an/an/a 1.10n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50323441
PNG
(2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...)
Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)C#N |r|
Show InChI InChI=1S/C33H38ClF2N3O3/c1-20-14-24-27(16-28(20)34)33(42-30(24)32(2,3)19-37)8-10-38(11-9-33)31(40)26-18-39(22-6-12-41-13-7-22)17-25(26)23-5-4-21(35)15-29(23)36/h4-5,14-16,22,25-26,30H,6-13,17-18H2,1-3H3/t25-,26+,30-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat melanocortin 4 receptor expressed in CHO cells assessed as cAMP release

Bioorg Med Chem Lett 20: 4895-900 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50367218
PNG
(CHEMBL4159416)
Show SMILES [Na;v0+].[#6]-[#8]-c1ccc(F)c(c1)-c1ccc(cc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
Show InChI InChI=1S/C29H29FO4.Na/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30;/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32);/q;+1/p-1/t17-,26?,28-;/m0./s1
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n/an/an/an/a 1.20n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GPR40 expressed in CHOK1 cells assessed as increase in IP1 accumulation measured after 60 mins by HTRF assay

ACS Med Chem Lett 9: 685-690 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00149
BindingDB Entry DOI: 10.7270/Q29C70ZD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563842
PNG
(CHEMBL4798023)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(F)c2)cc1 |r,c:26|
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n/an/an/an/a 1.30n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM392656
PNG
(US10301286, Example 4)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1ccc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C30H38ClF2N3O3/c1-18-6-7-20(25(32)12-18)13-27(29(38)39)34-10-11-36(19(2)15-34)28(37)24-17-35(30(3,4)5)16-23(24)22-9-8-21(31)14-26(22)33/h6-9,12,14,19,23-24,27H,10-11,13,15-17H2,1-5H3,(H,38,39)/t19-,23-,24+,27-/m0/s1
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US Patent
n/an/an/an/a 1.30n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Rat MC4 Receptor-Expressing VectorA rat MC4 receptor gene (GenBank Accession No.: NM_013099.2) was introduced in...

Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563854
PNG
(CHEMBL4791842)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)cc2)cc1 |r|
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n/an/an/an/a 1.30n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM392660
PNG
(US10301286, Example 76)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(F)cc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C30H37ClF3N3O3/c1-17-10-24(32)21(25(33)11-17)13-27(29(39)40)35-8-9-37(18(2)14-35)28(38)23-16-36(30(3,4)5)15-22(23)20-7-6-19(31)12-26(20)34/h6-7,10-12,18,22-23,27H,8-9,13-16H2,1-5H3,(H,39,40)/t18-,22-,23+,27-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Rat MC4 Receptor-Expressing VectorA rat MC4 receptor gene (GenBank Accession No.: NM_013099.2) was introduced in...

Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563863
PNG
(CHEMBL4787498)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)s2)cc1 |r|
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TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50200369
PNG
(CHEMBL3915620)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
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TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM293981
PNG
((2S)-5-(2-(4-((3-(2- (Trifluoromethyl)phenyl)benzo...)
Show SMILES CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C(F)(F)F)c3c2)cc1 |r|
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TBA

Assay Description
Agonist activity at rat GPR40 assessed as increase in intracellular calcium flux by cell based FLIPR assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.022
BindingDB Entry DOI: 10.7270/Q2833VN4
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
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563856
PNG
(CHEMBL4800563)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C(C)C)c5ccccc45)CC3)cc2)cc1 |r|
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n/an/an/an/a 2.10n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50367222
PNG
(CHEMBL4162778)
Show SMILES [Na;v0+].[#6]-[#8]-c1ccc(F)c(c1)-c1ccc(nc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
Show InChI InChI=1S/C28H28FNO4.Na/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29;/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32);/q;+1/p-1/t16-,25?,27-;/m0./s1
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n/an/an/an/a 2.30n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GPR40 expressed in CHOK1 cells assessed as increase in IP1 accumulation measured after 60 mins by HTRF assay

ACS Med Chem Lett 9: 685-690 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00149
BindingDB Entry DOI: 10.7270/Q29C70ZD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM392658
PNG
(US10301286, Example 9)
Show SMILES CCC[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C35H43F2N3O3/c1-5-8-27-20-38(32(34(42)43)18-23-11-12-24-9-6-7-10-25(24)17-23)15-16-40(27)33(41)30-22-39(35(2,3)4)21-29(30)28-14-13-26(36)19-31(28)37/h6-7,9-14,17,19,27,29-30,32H,5,8,15-16,18,20-22H2,1-4H3,(H,42,43)/t27-,29-,30+,32-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Rat MC4 Receptor-Expressing VectorA rat MC4 receptor gene (GenBank Accession No.: NM_013099.2) was introduced in...

Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		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/an/an/a 2.90n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Functional activity as concentration of the compound at 50% maximum cAMP accumulation in rat Melanocortin-4 receptor (rMC4R)

J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50204012
PNG
(CHEMBL3955132)
Show SMILES COc1cccc2CCCN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)s3)c12 |r|
Show InChI InChI=1S/C28H29NO4S/c1-3-6-22(17-27(30)31)20-10-12-23(13-11-20)33-19-25-15-14-24(34-25)18-29-16-5-8-21-7-4-9-26(32-2)28(21)29/h4,7,9-15,22H,5,8,16-19H2,1-2H3,(H,30,31)/t22-/m0/s1
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n/an/an/an/a 3n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563844
PNG
(CHEMBL4781604)
Show SMILES COc1cc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)ccc1CN1CCC2(CC1)C=Cc1ccccc21 |r,c:34|
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n/an/an/an/a 3n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM392663
PNG
(US10301286, Example 89)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C32H43ClFN3O3/c1-19-12-20(2)25(21(3)13-19)15-29(31(39)40)35-10-11-37(22(4)16-35)30(38)27-18-36(32(5,6)7)17-26(27)24-9-8-23(33)14-28(24)34/h8-9,12-14,22,26-27,29H,10-11,15-18H2,1-7H3,(H,39,40)/t22-,26-,27+,29-/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Rat MC4 Receptor-Expressing VectorA rat MC4 receptor gene (GenBank Accession No.: NM_013099.2) was introduced in...

Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50362690
PNG
(AMG-837 | CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM293976
PNG
((2S)-5-(2-(4-((3-(4-(2- Methoxyethoxy)-2- methylph...)
Show SMILES COCCOc1ccc(-c2csc3ccc(COc4ccc(cc4)[C@H](Cc4nnn[nH]4)C#CC)cc23)c(C)c1 |r|
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n/an/an/an/a 4n/an/an/an/a


TBA

Assay Description
Agonist activity at rat GPR40 assessed as increase in intracellular calcium flux by cell based FLIPR assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.022
BindingDB Entry DOI: 10.7270/Q2833VN4
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM293975
PNG
((2S)-4-(4-(5-((4-(1-(1H- Tetrazol-5-yl)pent-3-yn-2...)
Show SMILES CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)cc1 |r|
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n/an/an/an/a 4n/an/an/an/a


TBA

Assay Description
Agonist activity at rat GPR40 assessed as increase in intracellular calcium flux by cell based FLIPR assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.022
BindingDB Entry DOI: 10.7270/Q2833VN4
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50521269
PNG
(CHEMBL4591657)
Show SMILES COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)CC1 |r,wU:9.9,wD:12.13,21.27,(3.3,-21.37,;4.64,-22.13,;5.97,-21.35,;5.96,-19.8,;7.3,-19.03,;8.63,-19.79,;9.96,-19.02,;8.63,-21.34,;7.31,-22.11,;9.96,-22.1,;11.29,-21.32,;12.62,-22.1,;12.62,-23.64,;13.95,-24.41,;15.29,-23.64,;16.62,-24.41,;16.61,-25.95,;17.95,-26.72,;19.28,-25.95,;19.28,-24.41,;17.95,-23.64,;20.61,-23.63,;21.95,-24.4,;23.28,-23.63,;24.62,-24.39,;23.28,-22.08,;20.61,-22.09,;21.37,-20.76,;19.83,-20.76,;11.29,-24.4,;9.96,-23.64,)|
Show InChI InChI=1S/C26H31FO4/c1-30-21-11-12-25(27)24(14-21)19-7-5-17(6-8-19)16-31-22-4-2-3-20(13-22)23(15-26(28)29)18-9-10-18/h2-4,11-14,17-19,23H,5-10,15-16H2,1H3,(H,28,29)/t17-,19-,23-/m0/s1
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n/an/an/an/a 4.10n/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assay

ACS Med Chem Lett 10: 16-21 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00444
BindingDB Entry DOI: 10.7270/Q2X63RBS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563847
PNG
(CHEMBL4792075)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)o2)cc1 |r,c:26|
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n/an/an/an/a 4.20n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563862
PNG
(CHEMBL4799453)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 |r|
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n/an/an/an/a 4.5n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563859
PNG
(CHEMBL4786335)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(C)cc45)CC3)cc2)cc1 |r|
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n/an/an/an/a 4.60n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50521267
PNG
(CHEMBL4513748)
Show SMILES COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H]([C@@H](C)C(O)=O)C2CC2)CC1 |r,wU:9.9,wD:12.13,21.28,22.24,(3.87,-39.65,;5.21,-40.41,;6.54,-39.64,;6.53,-38.09,;7.86,-37.31,;9.2,-38.08,;10.53,-37.31,;9.2,-39.62,;7.88,-40.39,;10.53,-40.38,;11.86,-39.61,;13.19,-40.38,;13.19,-41.92,;14.52,-42.7,;15.86,-41.93,;17.19,-42.7,;17.18,-44.24,;18.51,-45.01,;19.85,-44.24,;19.85,-42.69,;18.52,-41.93,;21.18,-41.92,;22.51,-42.69,;22.52,-44.23,;23.85,-41.91,;25.19,-42.68,;23.85,-40.37,;21.18,-40.38,;21.94,-39.05,;20.4,-39.05,;11.86,-42.69,;10.53,-41.92,)|
Show InChI InChI=1S/C27H33FO4/c1-17(27(29)30)26(20-10-11-20)21-4-3-5-23(14-21)32-16-18-6-8-19(9-7-18)24-15-22(31-2)12-13-25(24)28/h3-5,12-15,17-20,26H,6-11,16H2,1-2H3,(H,29,30)/t17-,18-,19-,26+/m1/s1
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n/an/an/an/a 4.90n/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assay

ACS Med Chem Lett 10: 16-21 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00444
BindingDB Entry DOI: 10.7270/Q2X63RBS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50367220
PNG
(CHEMBL4168422)
Show SMILES [Na;v0+].[#6]-[#8]-c1cc(c(F)cn1)-c1ccc(nc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r|
Show InChI InChI=1S/C27H27FN2O4.Na/c1-15(27(31)32)26(17-4-5-17)18-6-3-16-8-10-23(34-24(16)11-18)22-9-7-19(13-29-22)20-12-25(33-2)30-14-21(20)28;/h3,6-7,9,11-15,17,23,26H,4-5,8,10H2,1-2H3,(H,31,32);/q;+1/p-1/t15-,23?,26-;/m0./s1
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n/an/an/an/a 5.20n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GPR40 expressed in CHOK1 cells assessed as increase in IP1 accumulation measured after 60 mins by HTRF assay

ACS Med Chem Lett 9: 685-690 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00149
BindingDB Entry DOI: 10.7270/Q29C70ZD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563855
PNG
(CHEMBL4780641)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccccc45)CC3)cc2)cc1 |r|
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n/an/an/an/a 5.5n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM293980
PNG
((2S)-3-((4-(5-((4-(1-(1H- Tetrazol-5-yl)pent-3-yn-...)
Show SMILES CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)cc1 |r|
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n/an/an/an/a 6n/an/an/an/a


TBA

Assay Description
Agonist activity at rat GPR40 assessed as increase in intracellular calcium flux by cell based FLIPR assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.022
BindingDB Entry DOI: 10.7270/Q2833VN4
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50521265
PNG
(CHEMBL4464769)
Show SMILES COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)[C@](C)(F)C(O)=O)CC1 |r,wU:25.29,9.9,wD:12.13,21.23,(31.9,-37.26,;33.24,-38.02,;34.57,-37.24,;34.56,-35.69,;35.89,-34.92,;37.22,-35.69,;38.56,-34.91,;37.23,-37.23,;35.9,-38,;38.56,-37.99,;39.89,-37.21,;41.22,-37.99,;41.22,-39.53,;42.55,-40.3,;43.88,-39.53,;45.22,-40.31,;45.21,-41.84,;46.54,-42.61,;47.88,-41.85,;47.87,-40.3,;46.54,-39.53,;49.21,-39.53,;49.2,-37.99,;49.97,-36.65,;48.43,-36.66,;50.54,-40.29,;51.3,-41.62,;49.77,-41.61,;51.87,-39.52,;53.21,-40.28,;51.88,-37.98,;39.89,-40.29,;38.56,-39.53,)|
Show InChI InChI=1S/C27H32F2O4/c1-27(29,26(30)31)25(19-10-11-19)20-4-3-5-22(14-20)33-16-17-6-8-18(9-7-17)23-15-21(32-2)12-13-24(23)28/h3-5,12-15,17-19,25H,6-11,16H2,1-2H3,(H,30,31)/t17-,18-,25-,27-/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assay

ACS Med Chem Lett 10: 16-21 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00444
BindingDB Entry DOI: 10.7270/Q2X63RBS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM293969
PNG
((2S)-5-(2-(4-((3-(2- Methylphenyl)benzo[b]thiophen...)
Show SMILES CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 |r|
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n/an/an/an/a 7n/an/an/an/a


TBA

Assay Description
Agonist activity at rat GPR40 assessed as increase in intracellular calcium flux by cell based FLIPR assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.022
BindingDB Entry DOI: 10.7270/Q2833VN4
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM293984
PNG
((2S)-5-(2-(4-((3-(2-Methyl-4-(3- (methylsulfonyl)p...)
Show SMILES CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1 |r|
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n/an/an/an/a 9n/an/an/an/a


TBA

Assay Description
Agonist activity at rat GPR40 assessed as increase in intracellular calcium flux by cell based FLIPR assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.022
BindingDB Entry DOI: 10.7270/Q2833VN4
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50373476
PNG
(CHEMBL255286)
Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Br)cc1F)C(C)(C)C
Show InChI InChI=1S/C31H40BrClFN3O2/c1-6-29(35-19(2)38)25-16-22(33)8-10-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-9-7-21(32)15-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat MC4R expressed in CHO cells assessed as cAMP release

Bioorg Med Chem Lett 18: 3242-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.049
BindingDB Entry DOI: 10.7270/Q2W37X5S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM293987
PNG
(5-((2S)-2-(4-((2-Methyl-3-(2- methylphenyl)benzo[b...)
Show SMILES CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccccc4C)c3c2)cc1 |r,wD:3.10,(4.77,-5,;4.77,-3.47,;4.77,-1.93,;4.77,-.38,;6.1,.38,;7.44,-.38,;7.44,-1.93,;8.9,-2.4,;9.81,-1.15,;8.9,.09,;3.44,.38,;2.1,-.38,;.77,.38,;.77,1.93,;-.56,2.69,;-1.9,1.93,;-3.23,2.69,;-3.23,4.23,;-4.56,5,;-5.9,4.23,;-7.36,4.71,;-8.27,3.47,;-9.81,3.47,;-7.36,2.22,;-7.76,.73,;-9.25,.33,;-9.65,-1.15,;-8.56,-2.24,;-7.07,-1.84,;-6.67,-.36,;-5.19,.04,;-5.9,2.69,;-4.56,1.93,;2.1,2.69,;3.44,1.93,)|
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n/an/an/an/a 10n/an/an/an/a


TBA

Assay Description
Agonist activity at rat GPR40 assessed as increase in intracellular calcium flux by cell based FLIPR assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.022
BindingDB Entry DOI: 10.7270/Q2833VN4
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM392662
PNG
(US10301286, Example 88)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1c(C)cc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C32H40ClF2N3O4/c1-19-12-20(2)25(28(34)13-19)15-30(32(40)41)36-8-9-38(21(3)16-36)31(39)27-18-37(23-6-10-42-11-7-23)17-26(27)24-5-4-22(33)14-29(24)35/h4-5,12-14,21,23,26-27,30H,6-11,15-18H2,1-3H3,(H,40,41)/t21-,26-,27+,30-/m0/s1
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US Patent
n/an/an/an/a 11n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Rat MC4 Receptor-Expressing VectorA rat MC4 receptor gene (GenBank Accession No.: NM_013099.2) was introduced in...

Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50563851
PNG
(CHEMBL4790921)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cnc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
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n/an/an/an/a 11n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50392861
PNG
(CHEMBL2152070)
Show SMILES COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C |r,t:35|
Show InChI InChI=1S/C33H35FO4/c1-33(2)15-5-8-30(33)28-16-21(9-13-26(28)29-18-24(37-3)12-14-31(29)34)20-38-25-7-4-6-23(17-25)27(19-32(35)36)22-10-11-22/h4,6-9,12-14,16-18,22,27H,5,10-11,15,19-20H2,1-3H3,(H,35,36)/t27-/m0/s1
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CHEMBL
MCE
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n/an/an/an/a 11n/an/an/an/a


TBA

Assay Description
Agonist activity at rat GPR40 transfected in HEK293 cells assessed as increase in intracellular calcium level incubated for 1 hr by Fluo-8 dye based ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2018.01.013
BindingDB Entry DOI: 10.7270/Q21R6V4X
More data for this
Ligand-Target Pair
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