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Compile Data Set for Download or QSAR

Found 166 hits Enz. Inhib. hit(s) with all data for entry = 50010282   
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 5


(Mus musculus (Mouse))		BDBM50537080
PNG
(CHEMBL4570356)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C26H37ClN6O6/c1-14(2)22(30-15(3)34)25(38)31-18(10-11-21(28)35)24(37)32-19(13-16-6-8-17(27)9-7-16)26(39)33-12-4-5-20(33)23(29)36/h6-9,14,18-20,22H,4-5,10-13H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,34)(H,31,38)(H,32,37)/t18-,19+,20+,22-/m0/s1
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n/an/an/an/a 7.40E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC5R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50537081
PNG
(CHEMBL4581269)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C27H41IN8O5/c1-15(2)22(33-16(3)37)25(40)34-19(6-4-12-32-27(30)31)24(39)35-20(14-17-8-10-18(28)11-9-17)26(41)36-13-5-7-21(36)23(29)38/h8-11,15,19-22H,4-7,12-14H2,1-3H3,(H2,29,38)(H,33,37)(H,34,40)(H,35,39)(H4,30,31,32)/t19-,20+,21+,22-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC1R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50537082
PNG
(CHEMBL4538209)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C31H39ClN6O6/c1-17(2)27(35-18(3)39)30(43)36-23(12-13-26(33)40)29(42)37-24(14-19-8-10-22(32)11-9-19)31(44)38-16-21-7-5-4-6-20(21)15-25(38)28(34)41/h4-11,17,23-25,27H,12-16H2,1-3H3,(H2,33,40)(H2,34,41)(H,35,39)(H,36,43)(H,37,42)/t23-,24+,25+,27-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC1R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))		BDBM50537083
PNG
(CHEMBL4550976)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H42IN9O6/c1-18(43)39-23(7-4-14-38-32(36)37)29(46)40-24(12-13-27(34)44)30(47)41-25(15-19-8-10-22(33)11-9-19)31(48)42-17-21-6-3-2-5-20(21)16-26(42)28(35)45/h2-3,5-6,8-11,23-26H,4,7,12-17H2,1H3,(H2,34,44)(H2,35,45)(H,39,43)(H,40,46)(H,41,47)(H4,36,37,38)/t23-,24-,25+,26+/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC5R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))		BDBM50537084
PNG
(CHEMBL4520119)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C31H49IN8O5/c1-18(2)26(37-19(3)41)30(45)38-23(10-7-15-36-31(34)35)28(43)40-25(17-21-11-13-22(32)14-12-21)29(44)39-24(27(33)42)16-20-8-5-4-6-9-20/h11-14,18,20,23-26H,4-10,15-17H2,1-3H3,(H2,33,42)(H,37,41)(H,38,45)(H,39,44)(H,40,43)(H4,34,35,36)/t23-,24-,25+,26-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC5R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))		BDBM50537085
PNG
(CHEMBL4565607)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H39ClN10O5/c1-16(40)36-21(13-19-14-33-15-35-19)26(43)37-20(4-2-10-34-28(31)32)25(42)38-22(12-17-6-8-18(29)9-7-17)27(44)39-11-3-5-23(39)24(30)41/h6-9,14-15,20-23H,2-5,10-13H2,1H3,(H2,30,41)(H,33,35)(H,36,40)(H,37,43)(H,38,42)(H4,31,32,34)/t20-,21-,22+,23+/m0/s1
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n/an/an/an/a 2.80E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC5R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))		BDBM50537086
PNG
(CHEMBL4529287)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C27H35ClN8O6/c1-15(37)33-20(12-18-13-31-14-32-18)26(41)34-19(8-9-23(29)38)25(40)35-21(11-16-4-6-17(28)7-5-16)27(42)36-10-2-3-22(36)24(30)39/h4-7,13-14,19-22H,2-3,8-12H2,1H3,(H2,29,38)(H2,30,39)(H,31,32)(H,33,37)(H,34,41)(H,35,40)/t19-,20-,21+,22+/m0/s1
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n/an/an/an/a 2.70E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC5R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50537087
PNG
(CHEMBL4547556)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C32H43IN8O5/c1-18(2)27(38-19(3)42)30(45)39-24(9-6-14-37-32(35)36)29(44)40-25(15-20-10-12-23(33)13-11-20)31(46)41-17-22-8-5-4-7-21(22)16-26(41)28(34)43/h4-5,7-8,10-13,18,24-27H,6,9,14-17H2,1-3H3,(H2,34,43)(H,38,42)(H,39,45)(H,40,44)(H4,35,36,37)/t24-,25+,26-,27-/m0/s1
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n/an/an/an/a 90n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/an/an/a 0.279n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50537086
PNG
(CHEMBL4529287)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C27H35ClN8O6/c1-15(37)33-20(12-18-13-31-14-32-18)26(41)34-19(8-9-23(29)38)25(40)35-21(11-16-4-6-17(28)7-5-16)27(42)36-10-2-3-22(36)24(30)39/h4-7,13-14,19-22H,2-3,8-12H2,1H3,(H2,29,38)(H2,30,39)(H,31,32)(H,33,37)(H,34,41)(H,35,40)/t19-,20-,21+,22+/m0/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC1R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50537083
PNG
(CHEMBL4550976)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H42IN9O6/c1-18(43)39-23(7-4-14-38-32(36)37)29(46)40-24(12-13-27(34)44)30(47)41-25(15-19-8-10-22(33)11-9-19)31(48)42-17-21-6-3-2-5-20(21)16-26(42)28(35)45/h2-3,5-6,8-11,23-26H,4,7,12-17H2,1H3,(H2,34,44)(H2,35,45)(H,39,43)(H,40,46)(H,41,47)(H4,36,37,38)/t23-,24-,25+,26+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC1R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537088
PNG
(CHEMBL4568647)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C32H37IN8O6/c1-18(42)38-25(14-23-15-36-17-37-23)31(46)39-24(10-11-28(34)43)30(45)40-26(12-19-6-8-22(33)9-7-19)32(47)41-16-21-5-3-2-4-20(21)13-27(41)29(35)44/h2-9,15,17,24-27H,10-14,16H2,1H3,(H2,34,43)(H2,35,44)(H,36,37)(H,38,42)(H,39,46)(H,40,45)/t24-,25-,26+,27-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537089
PNG
(CHEMBL4533593)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C31H43IN8O6/c1-18(41)37-26(15-22-16-35-17-36-22)31(46)38-23(11-12-27(33)42)29(44)40-25(14-20-7-9-21(32)10-8-20)30(45)39-24(28(34)43)13-19-5-3-2-4-6-19/h7-10,16-17,19,23-26H,2-6,11-15H2,1H3,(H2,33,42)(H2,34,43)(H,35,36)(H,37,41)(H,38,46)(H,39,45)(H,40,44)/t23-,24-,25+,26-/m0/s1
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n/an/an/an/a 350n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537090
PNG
(CHEMBL4535510)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H44IN11O5/c1-16(41)37-19(5-2-12-35-27(31)32)24(43)38-20(6-3-13-36-28(33)34)25(44)39-21(15-17-8-10-18(29)11-9-17)26(45)40-14-4-7-22(40)23(30)42/h8-11,19-22H,2-7,12-15H2,1H3,(H2,30,42)(H,37,41)(H,38,43)(H,39,44)(H4,31,32,35)(H4,33,34,36)/t19-,20-,21+,22+/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537091
PNG
(CHEMBL4554828)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H42ClN9O6/c1-18(43)39-23(7-4-14-38-32(36)37)29(46)40-24(12-13-27(34)44)30(47)41-25(15-19-8-10-22(33)11-9-19)31(48)42-17-21-6-3-2-5-20(21)16-26(42)28(35)45/h2-3,5-6,8-11,23-26H,4,7,12-17H2,1H3,(H2,34,44)(H2,35,45)(H,39,43)(H,40,46)(H,41,47)(H4,36,37,38)/t23-,24-,25+,26+/m0/s1
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n/an/an/an/a 105n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537092
PNG
(CHEMBL4579448)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C31H39IN6O6/c1-17(2)27(35-18(3)39)30(43)36-23(12-13-26(33)40)29(42)37-24(14-19-8-10-22(32)11-9-19)31(44)38-16-21-7-5-4-6-20(21)15-25(38)28(34)41/h4-11,17,23-25,27H,12-16H2,1-3H3,(H2,33,40)(H2,34,41)(H,35,39)(H,36,43)(H,37,42)/t23-,24+,25-,27-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50537093
PNG
(CHEMBL4573041)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H47ClN10O5/c1-19(44)40-27(16-23-17-37-18-39-23)31(48)41-24(8-5-13-38-32(35)36)29(46)43-26(15-21-9-11-22(33)12-10-21)30(47)42-25(28(34)45)14-20-6-3-2-4-7-20/h9-12,17-18,20,24-27H,2-8,13-16H2,1H3,(H2,34,45)(H,37,39)(H,40,44)(H,41,48)(H,42,47)(H,43,46)(H4,35,36,38)/t24-,25-,26+,27-/m0/s1
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n/an/an/an/a 380n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50537094
PNG
(CHEMBL4539621)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C33H46ClN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50537095
PNG
(CHEMBL4556149)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C33H41ClN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28-/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC1R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537096
PNG
(CHEMBL4550246)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H44ClN11O5/c1-16(41)37-19(5-2-12-35-27(31)32)24(43)38-20(6-3-13-36-28(33)34)25(44)39-21(15-17-8-10-18(29)11-9-17)26(45)40-14-4-7-22(40)23(30)42/h8-11,19-22H,2-7,12-15H2,1H3,(H2,30,42)(H,37,41)(H,38,43)(H,39,44)(H4,31,32,35)(H4,33,34,36)/t19-,20-,21+,22+/m0/s1
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n/an/an/an/a 4.40E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537097
PNG
(CHEMBL4567480)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C31H48ClN9O6/c1-18(42)38-22(8-5-15-37-31(35)36)28(45)39-23(13-14-26(33)43)29(46)41-25(17-20-9-11-21(32)12-10-20)30(47)40-24(27(34)44)16-19-6-3-2-4-7-19/h9-12,19,22-25H,2-8,13-17H2,1H3,(H2,33,43)(H2,34,44)(H,38,42)(H,39,45)(H,40,47)(H,41,46)(H4,35,36,37)/t22-,23-,24-,25+/m0/s1
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n/an/an/an/a 210n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/an/an/a 0.414n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50537098
PNG
(CHEMBL4538225)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H37IN8O6/c1-18(42)38-25(14-23-15-36-17-37-23)31(46)39-24(10-11-28(34)43)30(45)40-26(12-19-6-8-22(33)9-7-19)32(47)41-16-21-5-3-2-4-20(21)13-27(41)29(35)44/h2-9,15,17,24-27H,10-14,16H2,1H3,(H2,34,43)(H2,35,44)(H,36,37)(H,38,42)(H,39,46)(H,40,45)/t24-,25-,26+,27+/m0/s1
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n/an/an/an/a 6.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50537099
PNG
(CHEMBL4515666)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H52ClN11O5/c1-19(45)41-23(9-5-15-39-31(35)36)28(47)42-24(10-6-16-40-32(37)38)29(48)44-26(18-21-11-13-22(33)14-12-21)30(49)43-25(27(34)46)17-20-7-3-2-4-8-20/h11-14,20,23-26H,2-10,15-18H2,1H3,(H2,34,46)(H,41,45)(H,42,47)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25-,26+/m0/s1
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n/an/an/an/a 260n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50537093
PNG
(CHEMBL4573041)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H47ClN10O5/c1-19(44)40-27(16-23-17-37-18-39-23)31(48)41-24(8-5-13-38-32(35)36)29(46)43-26(15-21-9-11-22(33)12-10-21)30(47)42-25(28(34)45)14-20-6-3-2-4-7-20/h9-12,17-18,20,24-27H,2-8,13-16H2,1H3,(H2,34,45)(H,37,39)(H,40,44)(H,41,48)(H,42,47)(H,43,46)(H4,35,36,38)/t24-,25-,26+,27-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC1R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50537099
PNG
(CHEMBL4515666)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H52ClN11O5/c1-19(45)41-23(9-5-15-39-31(35)36)28(47)42-24(10-6-16-40-32(37)38)29(48)44-26(18-21-11-13-22(33)14-12-21)30(49)43-25(27(34)46)17-20-7-3-2-4-8-20/h11-14,20,23-26H,2-10,15-18H2,1H3,(H2,34,46)(H,41,45)(H,42,47)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25-,26+/m0/s1
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n/an/an/an/a 2n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC1R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))		BDBM50537100
PNG
(CHEMBL4591394)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H43ClN8O5/c1-18(2)27(38-19(3)42)30(45)39-24(9-6-14-37-32(35)36)29(44)40-25(15-20-10-12-23(33)13-11-20)31(46)41-17-22-8-5-4-7-21(22)16-26(41)28(34)43/h4-5,7-8,10-13,18,24-27H,6,9,14-17H2,1-3H3,(H2,34,43)(H,38,42)(H,39,45)(H,40,44)(H4,35,36,37)/t24-,25+,26+,27-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC5R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))		BDBM50537082
PNG
(CHEMBL4538209)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C31H39ClN6O6/c1-17(2)27(35-18(3)39)30(43)36-23(12-13-26(33)40)29(42)37-24(14-19-8-10-22(32)11-9-19)31(44)38-16-21-7-5-4-6-20(21)15-25(38)28(34)41/h4-11,17,23-25,27H,12-16H2,1-3H3,(H2,33,40)(H2,34,41)(H,35,39)(H,36,43)(H,37,42)/t23-,24+,25+,27-/m0/s1
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n/an/an/an/a 90n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Full agonist activity at mouse MC5R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cA...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537093
PNG
(CHEMBL4573041)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H47ClN10O5/c1-19(44)40-27(16-23-17-37-18-39-23)31(48)41-24(8-5-13-38-32(35)36)29(46)43-26(15-21-9-11-22(33)12-10-21)30(47)42-25(28(34)45)14-20-6-3-2-4-7-20/h9-12,17-18,20,24-27H,2-8,13-16H2,1H3,(H2,34,45)(H,37,39)(H,40,44)(H,41,48)(H,42,47)(H,43,46)(H4,35,36,38)/t24-,25-,26+,27-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537101
PNG
(CHEMBL4582276)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C33H41ClN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28+/m0/s1
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n/an/an/an/a 210n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537102
PNG
(CHEMBL4582914)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H39IN10O5/c1-16(40)36-21(13-19-14-33-15-35-19)26(43)37-20(4-2-10-34-28(31)32)25(42)38-22(12-17-6-8-18(29)9-7-17)27(44)39-11-3-5-23(39)24(30)41/h6-9,14-15,20-23H,2-5,10-13H2,1H3,(H2,30,41)(H,33,35)(H,36,40)(H,37,43)(H,38,42)(H4,31,32,34)/t20-,21-,22+,23+/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537103
PNG
(CHEMBL4567961)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C33H41IN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28+/m0/s1
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n/an/an/an/a 51n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537098
PNG
(CHEMBL4538225)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H37IN8O6/c1-18(42)38-25(14-23-15-36-17-37-23)31(46)39-24(10-11-28(34)43)30(45)40-26(12-19-6-8-22(33)9-7-19)32(47)41-16-21-5-3-2-4-20(21)13-27(41)29(35)44/h2-9,15,17,24-27H,10-14,16H2,1H3,(H2,34,43)(H2,35,44)(H,36,37)(H,38,42)(H,39,46)(H,40,45)/t24-,25-,26+,27+/m0/s1
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n/an/an/an/a 270n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537104
PNG
(CHEMBL4524668)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H37ClN8O6/c1-18(42)38-25(14-23-15-36-17-37-23)31(46)39-24(10-11-28(34)43)30(45)40-26(12-19-6-8-22(33)9-7-19)32(47)41-16-21-5-3-2-4-20(21)13-27(41)29(35)44/h2-9,15,17,24-27H,10-14,16H2,1H3,(H2,34,43)(H2,35,44)(H,36,37)(H,38,42)(H,39,46)(H,40,45)/t24-,25-,26+,27+/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537105
PNG
(CHEMBL4539175)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C31H43ClN8O6/c1-18(41)37-26(15-22-16-35-17-36-22)31(46)38-23(11-12-27(33)42)29(44)40-25(14-20-7-9-21(32)10-8-20)30(45)39-24(28(34)43)13-19-5-3-2-4-6-19/h7-10,16-17,19,23-26H,2-6,11-15H2,1H3,(H2,33,42)(H2,34,43)(H,35,36)(H,37,41)(H,38,46)(H,39,45)(H,40,44)/t23-,24-,25+,26-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537106
PNG
(CHEMBL4522298)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27+/m0/s1
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n/an/an/an/a 8n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537094
PNG
(CHEMBL4539621)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C33H46ClN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537099
PNG
(CHEMBL4515666)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H52ClN11O5/c1-19(45)41-23(9-5-15-39-31(35)36)28(47)42-24(10-6-16-40-32(37)38)29(48)44-26(18-21-11-13-22(33)14-12-21)30(49)43-25(27(34)46)17-20-7-3-2-4-8-20/h11-14,20,23-26H,2-10,15-18H2,1H3,(H2,34,46)(H,41,45)(H,42,47)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25-,26+/m0/s1
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n/an/an/an/a 60n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537083
PNG
(CHEMBL4550976)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H42IN9O6/c1-18(43)39-23(7-4-14-38-32(36)37)29(46)40-24(12-13-27(34)44)30(47)41-25(15-19-8-10-22(33)11-9-19)31(48)42-17-21-6-3-2-5-20(21)16-26(42)28(35)45/h2-3,5-6,8-11,23-26H,4,7,12-17H2,1H3,(H2,34,44)(H2,35,45)(H,39,43)(H,40,46)(H,41,47)(H4,36,37,38)/t23-,24-,25+,26+/m0/s1
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n/an/an/an/a 15n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537107
PNG
(CHEMBL4588429)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C31H48IN9O6/c1-18(42)38-22(8-5-15-37-31(35)36)28(45)39-23(13-14-26(33)43)29(46)41-25(17-20-9-11-21(32)12-10-20)30(47)40-24(27(34)44)16-19-6-3-2-4-7-19/h9-12,19,22-25H,2-8,13-17H2,1H3,(H2,33,43)(H2,34,44)(H,38,42)(H,39,45)(H,40,47)(H,41,46)(H4,35,36,37)/t22-,23-,24-,25+/m0/s1
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n/an/an/an/a 100n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537108
PNG
(CHEMBL4513460)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C27H40IN9O6/c1-15(38)34-18(4-2-12-33-27(31)32)24(41)35-19(10-11-22(29)39)25(42)36-20(14-16-6-8-17(28)9-7-16)26(43)37-13-3-5-21(37)23(30)40/h6-9,18-21H,2-5,10-14H2,1H3,(H2,29,39)(H2,30,40)(H,34,38)(H,35,41)(H,36,42)(H4,31,32,33)/t18-,19-,20+,21+/m0/s1
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n/an/an/an/a 1.80E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537109
PNG
(CHEMBL4557656)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C27H40ClN9O6/c1-15(38)34-18(4-2-12-33-27(31)32)24(41)35-19(10-11-22(29)39)25(42)36-20(14-16-6-8-17(28)9-7-16)26(43)37-13-3-5-21(37)23(30)40/h6-9,18-21H,2-5,10-14H2,1H3,(H2,29,39)(H2,30,40)(H,34,38)(H,35,41)(H,36,42)(H4,31,32,33)/t18-,19-,20+,21+/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537087
PNG
(CHEMBL4547556)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C32H43IN8O5/c1-18(2)27(38-19(3)42)30(45)39-24(9-6-14-37-32(35)36)29(44)40-25(15-20-10-12-23(33)13-11-20)31(46)41-17-22-8-5-4-7-21(22)16-26(41)28(34)43/h4-5,7-8,10-13,18,24-27H,6,9,14-17H2,1-3H3,(H2,34,43)(H,38,42)(H,39,45)(H,40,44)(H4,35,36,37)/t24-,25+,26-,27-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537110
PNG
(CHEMBL4574056)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H43IN8O5/c1-18(2)27(38-19(3)42)30(45)39-24(9-6-14-37-32(35)36)29(44)40-25(15-20-10-12-23(33)13-11-20)31(46)41-17-22-8-5-4-7-21(22)16-26(41)28(34)43/h4-5,7-8,10-13,18,24-27H,6,9,14-17H2,1-3H3,(H2,34,43)(H,38,42)(H,39,45)(H,40,44)(H4,35,36,37)/t24-,25+,26+,27-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537111
PNG
(CHEMBL4519837)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C32H43ClN8O5/c1-18(2)27(38-19(3)42)30(45)39-24(9-6-14-37-32(35)36)29(44)40-25(15-20-10-12-23(33)13-11-20)31(46)41-17-22-8-5-4-7-21(22)16-26(41)28(34)43/h4-5,7-8,10-13,18,24-27H,6,9,14-17H2,1-3H3,(H2,34,43)(H,38,42)(H,39,45)(H,40,44)(H4,35,36,37)/t24-,25+,26-,27-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537100
PNG
(CHEMBL4591394)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H43ClN8O5/c1-18(2)27(38-19(3)42)30(45)39-24(9-6-14-37-32(35)36)29(44)40-25(15-20-10-12-23(33)13-11-20)31(46)41-17-22-8-5-4-7-21(22)16-26(41)28(34)43/h4-5,7-8,10-13,18,24-27H,6,9,14-17H2,1-3H3,(H2,34,43)(H,38,42)(H,39,45)(H,40,44)(H4,35,36,37)/t24-,25+,26+,27-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537112
PNG
(CHEMBL4583714)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C31H39IN6O6/c1-17(2)27(35-18(3)39)30(43)36-23(12-13-26(33)40)29(42)37-24(14-19-8-10-22(32)11-9-19)31(44)38-16-21-7-5-4-6-20(21)15-25(38)28(34)41/h4-11,17,23-25,27H,12-16H2,1-3H3,(H2,33,40)(H2,34,41)(H,35,39)(H,36,43)(H,37,42)/t23-,24+,25+,27-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537113
PNG
(CHEMBL4541098)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C31H39ClN6O6/c1-17(2)27(35-18(3)39)30(43)36-23(12-13-26(33)40)29(42)37-24(14-19-8-10-22(32)11-9-19)31(44)38-16-21-7-5-4-6-20(21)15-25(38)28(34)41/h4-11,17,23-25,27H,12-16H2,1-3H3,(H2,33,40)(H2,34,41)(H,35,39)(H,36,43)(H,37,42)/t23-,24+,25-,27-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50537082
PNG
(CHEMBL4538209)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C31H39ClN6O6/c1-17(2)27(35-18(3)39)30(43)36-23(12-13-26(33)40)29(42)37-24(14-19-8-10-22(32)11-9-19)31(44)38-16-21-7-5-4-6-20(21)15-25(38)28(34)41/h4-11,17,23-25,27H,12-16H2,1-3H3,(H2,33,40)(H2,34,41)(H,35,39)(H,36,43)(H,37,42)/t23-,24+,25+,27-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50537114
PNG
(CHEMBL4550582)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H47IN10O5/c1-19(44)40-27(16-23-17-37-18-39-23)31(48)41-24(8-5-13-38-32(35)36)29(46)43-26(15-21-9-11-22(33)12-10-21)30(47)42-25(28(34)45)14-20-6-3-2-4-7-20/h9-12,17-18,20,24-27H,2-8,13-16H2,1H3,(H2,34,45)(H,37,39)(H,40,44)(H,41,48)(H,42,47)(H,43,46)(H4,35,36,38)/t24-,25-,26+,27-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP as...

J Med Chem 62: 2738-2749 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00053
BindingDB Entry DOI: 10.7270/Q2HT2SWG
More data for this
Ligand-Target Pair
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