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Compile Data Set for Download or QSAR

Found 14 hits of ec50 data for polymerid = 50002660   
Target
(Institution)
LigandTarget
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 3


(Rattus norvegicus)
BDBM50141035
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C51H65N15O9S2/c1-28(67)42(43(53)68)66-50(75)41-26-77-76-25-40(64-44(69)34(52)19-29-11-4-2-5-12-29)49(74)63-39(22-32-24-56-27-59-32)48(73)61-37(20-30-13-6-3-7-14-30)46(71)60-36(17-10-18-57-51(54)55)45(70)62-38(47(72)65-41)21-31-23-58-35-16-9-8-15-33(31)35/h2-9,11-16,23-24,27-28,34,36-42,58,67H,10,17-22,25-26,52H2,1H3,(H2,53,68)(H,56,59)(H,60,71)(H,61,73)(H,62,70)(H,63,74)(H,64,69)(H,65,72)(H,66,75)(H4,54,55,57)/t28-,34+,36+,37-,38-,39+,40+,41-,42+/m1/s1
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n/an/an/an/a 0.00000300n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
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
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 0.100n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141018
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-7-[3-amino(imino)...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C55H72N16O10/c1-31(72)46(47(57)74)71-50(77)39-19-10-11-21-61-45(73)27-44(67-48(75)37(56)23-32-13-4-2-5-14-32)54(81)70-43(26-35-29-60-30-64-35)53(80)68-41(24-33-15-6-3-7-16-33)51(78)66-40(20-12-22-62-55(58)59)49(76)69-42(52(79)65-39)25-34-28-63-38-18-9-8-17-36(34)38/h2-9,13-18,28-31,37,39-44,46,63,72H,10-12,19-27,56H2,1H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,79)(H,66,78)(H,67,75)(H,68,80)(H,69,76)(H,70,81)(H,71,77)(H4,58,59,62)/t31-,37+,39-,40+,41-,42-,43+,44+,46+/m1/s1
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n/an/an/an/a 0.230n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141023
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C51H65N15O9S2/c1-28(67)42(43(53)68)66-50(75)41-26-77-76-25-40(64-44(69)34(52)19-29-11-4-2-5-12-29)49(74)63-39(22-32-24-56-27-59-32)48(73)61-37(20-30-13-6-3-7-14-30)46(71)60-36(17-10-18-57-51(54)55)45(70)62-38(47(72)65-41)21-31-23-58-35-16-9-8-15-33(31)35/h2-9,11-16,23-24,27-28,34,36-42,58,67H,10,17-22,25-26,52H2,1H3,(H2,53,68)(H,56,59)(H,60,71)(H,61,73)(H,62,70)(H,63,74)(H,64,69)(H,65,72)(H,66,75)(H4,54,55,57)/t28-,34-,36+,37-,38-,39-,40+,41-,42+/m1/s1
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n/an/an/an/a 0.230n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141026
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C51H65N15O9S2/c1-28(67)42(43(53)68)66-50(75)41-26-77-76-25-40(64-44(69)34(52)19-29-11-4-2-5-12-29)49(74)63-39(22-32-24-56-27-59-32)48(73)61-37(20-30-13-6-3-7-14-30)46(71)60-36(17-10-18-57-51(54)55)45(70)62-38(47(72)65-41)21-31-23-58-35-16-9-8-15-33(31)35/h2-9,11-16,23-24,27-28,34,36-42,58,67H,10,17-22,25-26,52H2,1H3,(H2,53,68)(H,56,59)(H,60,71)(H,61,73)(H,62,70)(H,63,74)(H,64,69)(H,65,72)(H,66,75)(H4,54,55,57)/t28-,34-,36+,37+,38-,39+,40+,41-,42+/m1/s1
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n/an/an/an/a 3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141034
PNG
((2S,3R)-2-{[(4S,7R,10S,13R,16S,19R)-19-[(2R)-2-ami...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ncc[nH]2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C55H67N15O9S2/c1-30(71)46(47(57)72)70-54(79)44-29-81-80-28-43(68-48(73)37(56)23-31-11-3-2-4-12-31)53(78)67-42(26-45-60-21-22-61-45)52(77)66-40(24-33-15-9-14-32-13-5-6-16-35(32)33)50(75)64-39(19-10-20-62-55(58)59)49(74)65-41(51(76)69-44)25-34-27-63-38-18-8-7-17-36(34)38/h2-9,11-18,21-22,27,30,37,39-44,46,63,71H,10,19-20,23-26,28-29,56H2,1H3,(H2,57,72)(H,60,61)(H,64,75)(H,65,74)(H,66,77)(H,67,78)(H,68,73)(H,69,76)(H,70,79)(H4,58,59,62)/t30-,37-,39+,40-,41-,42+,43+,44-,46+/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141027
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C51H64ClN15O9S2/c1-27(68)42(43(54)69)67-50(76)41-25-78-77-24-40(65-44(70)34(53)18-28-8-3-2-4-9-28)49(75)64-39(21-32-23-57-26-60-32)48(74)62-37(19-29-13-15-31(52)16-14-29)46(72)61-36(12-7-17-58-51(55)56)45(71)63-38(47(73)66-41)20-30-22-59-35-11-6-5-10-33(30)35/h2-6,8-11,13-16,22-23,26-27,34,36-42,59,68H,7,12,17-21,24-25,53H2,1H3,(H2,54,69)(H,57,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,58)/t27-,34+,36-,37-,38+,39-,40-,41+,42+/m0/s1
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n/an/an/an/a 7.30n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141029
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H67N15O9S2/c1-28(68)43(44(54)69)67-51(76)42-27-78-77-26-41(65-45(70)35(53)20-30-12-5-3-6-13-30)50(75)64-40(23-33-25-58-29(2)60-33)49(74)62-38(21-31-14-7-4-8-15-31)47(72)61-37(18-11-19-57-52(55)56)46(71)63-39(48(73)66-42)22-32-24-59-36-17-10-9-16-34(32)36/h3-10,12-17,24-25,28,35,37-43,59,68H,11,18-23,26-27,53H2,1-2H3,(H2,54,69)(H,58,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,57)/t28-,35+,37+,38-,39-,40+,41+,42-,43+/m1/s1
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n/an/an/an/a 31n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141021
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-6-(1-amino-2-phen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H67N13O9S2/c1-29(66)42(44(55)67)64-50(73)41-27-75-76-52(2,3)43(65-45(68)35(54)21-30-13-6-4-7-14-30)51(74)62-40(24-33-26-56-28-58-33)49(72)60-38(22-31-15-8-5-9-16-31)47(70)59-37(19-12-20-53)46(69)61-39(48(71)63-41)23-32-25-57-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,57,66H,12,19-24,27,53-54H2,1-3H3,(H2,55,67)(H,56,58)(H,59,70)(H,60,72)(H,61,69)(H,62,74)(H,63,71)(H,64,73)(H,65,68)/t29-,35-,37?,38+,39-,40+,41-,42+,43-/m1/s1
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n/an/an/an/a 59n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141019
PNG
(CHEMBL411400 | H-D-Phe-c[Cys-His-D-Phe-Arg-Trp-Pen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H69N15O9S2/c1-29(69)42(44(55)70)67-51(77)43-53(2,3)79-78-27-41(66-45(71)35(54)21-30-13-6-4-7-14-30)50(76)65-40(24-33-26-58-28-61-33)48(74)63-38(22-31-15-8-5-9-16-31)47(73)62-37(19-12-20-59-52(56)57)46(72)64-39(49(75)68-43)23-32-25-60-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,60,69H,12,19-24,27,54H2,1-3H3,(H2,55,70)(H,58,61)(H,62,73)(H,63,74)(H,64,72)(H,65,76)(H,66,71)(H,67,77)(H,68,75)(H4,56,57,59)/t29-,35-,37+,38-,39-,40-,41+,42+,43+/m1/s1
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n/an/an/an/a 64n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141028
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-16-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H67N15O9S2/c1-29(68)43(44(54)69)67-47(72)38-18-20-77-78-27-42(66-45(70)35(53)21-30-11-4-2-5-12-30)51(76)65-41(24-33-26-57-28-60-33)50(75)63-39(22-31-13-6-3-7-14-31)48(73)61-37(17-10-19-58-52(55)56)46(71)64-40(49(74)62-38)23-32-25-59-36-16-9-8-15-34(32)36/h2-9,11-16,25-26,28-29,35,37-43,59,68H,10,17-24,27,53H2,1H3,(H2,54,69)(H,57,60)(H,61,73)(H,62,74)(H,63,75)(H,64,71)(H,65,76)(H,66,70)(H,67,72)(H4,55,56,58)/t29-,35+,37+,38-,39-,40-,41+,42+,43+/m1/s1
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n/an/an/an/a 75n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141030
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-6-(1-amino-2-phen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCN)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H63N13O9S2/c1-29(64)43(44(53)66)62-49(71)41-27-74-73-26-40(60-45(67)35(52)19-30-11-4-2-5-12-30)48(70)58-38(22-33-24-54-28-56-33)47(69)59-39(20-31-13-6-3-7-14-31)50(72)63(18-10-17-51)25-42(65)57-37(46(68)61-41)21-32-23-55-36-16-9-8-15-34(32)36/h2-9,11-16,23-24,28-29,35,37-41,43,55,64H,10,17-22,25-27,51-52H2,1H3,(H2,53,66)(H,54,56)(H,57,65)(H,58,70)(H,59,69)(H,60,67)(H,61,68)(H,62,71)/t29-,35-,37-,38+,39+,40+,41-,43+/m1/s1
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n/an/an/an/a 660n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


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Ligand-Target Pair
Melanocortin receptor 3


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



Merck Research Laboratories

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(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 1.33E+3n/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-3 receptor (rMC3R)


J Med Chem 45: 4589-93 (2002)

More data for this
Ligand-Target Pair