Compile Data Set for Download or QSAR
Found 2899 with Last Name = 'haskell-luevano' and Initial = 'c'
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50499284(CHEMBL3735607)
Show SMILES CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40?,41-,42+,43-,44-,45-/m0/s1
Affinity DataKi:  0.5nMAssay Description:Antagonist activity at mouse MC4 receptor expressed in HEK293 cells assessed as NDP-MSH induced response by cAMP alpha screen based schild analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50499284(CHEMBL3735607)
Show SMILES CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40?,41-,42+,43-,44-,45-/m0/s1
Affinity DataKi:  0.790nMAssay Description:Antagonist activity at mouse MC4 receptor expressed in HEK293 cells assessed as NDP-MSH induced response by cAMP alpha screen based schild analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089414(CHEMBL3577996)
Show SMILES C[C@@H]1NC(=O)C(CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C49H64N12O8/c1-30-41(62)58-37(28-33-18-9-4-10-19-33)47(68)61-25-13-22-40(61)48(69)60-24-12-21-39(60)46(67)55-34(20-11-23-53-49(51)52)42(63)56-35(26-31-14-5-2-6-15-31)43(64)57-36(27-32-16-7-3-8-17-32)44(65)59-38(29-50)45(66)54-30/h2-10,14-19,30,34-40H,11-13,20-29,50H2,1H3,(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,62)(H,59,65)(H4,51,52,53)/t30-,34-,35-,36-,37-,38?,39-,40+/m0/s1
Affinity DataKi:  0.790nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50266734(CHEMBL4096081)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc(I)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H42IN9O4/c37-25-13-11-21(12-14-25)16-31(46-34(49)30-17-22-6-1-2-7-23(22)19-43-30)35(50)44-28(10-5-15-41-36(39)40)33(48)45-29(32(38)47)18-24-20-42-27-9-4-3-8-26(24)27/h1-4,6-9,11-14,20,28-31,42-43H,5,10,15-19H2,(H2,38,47)(H,44,50)(H,45,48)(H,46,49)(H4,39,40,41)/t28-,29-,30-,31+/m0/s1
Affinity DataKi:  0.790nMAssay Description:Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of aplha MSH-induced cAMP activation after 45 minsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574259(CHEMBL4865888)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C36H48IN11O5/c1-21(49)45-29(19-22-11-14-26(37)15-12-22)33(52)47-28(9-5-17-44-36(41)42)32(51)48-30(20-23-10-13-24-6-2-3-7-25(24)18-23)34(53)46-27(31(38)50)8-4-16-43-35(39)40/h2-3,6-7,10-15,18,27-30H,4-5,8-9,16-17,19-20H2,1H3,(H2,38,50)(H,45,49)(H,46,53)(H,47,52)(H,48,51)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30-/m0/s1
Affinity DataKi:  1nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50499284(CHEMBL3735607)
Show SMILES CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40?,41-,42+,43-,44-,45-/m0/s1
Affinity DataKi:  1.60nMAssay Description:Partial agonist activity at mouse MC3 receptor expressed in HEK293 cells assessed as NDP-MSH induced response by cAMP alpha screen based schild analy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574231(CHEMBL4850510)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C40H51N11O5/c1-24(52)48-33(22-25-14-16-27-8-2-4-10-29(27)20-25)37(55)50-32(13-7-19-47-40(44)45)36(54)51-34(23-26-15-17-28-9-3-5-11-30(28)21-26)38(56)49-31(35(41)53)12-6-18-46-39(42)43/h2-5,8-11,14-17,20-21,31-34H,6-7,12-13,18-19,22-23H2,1H3,(H2,41,53)(H,48,52)(H,49,56)(H,50,55)(H,51,54)(H4,42,43,46)(H4,44,45,47)/t31-,32-,33+,34-/m0/s1
Affinity DataKi:  1.60nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574246(CHEMBL4852297)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Affinity DataKi:  2nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574230(CHEMBL4851302)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C36H48IN11O5/c1-21(49)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)33(52)47-28(9-5-17-44-36(41)42)32(51)48-30(19-22-11-14-26(37)15-12-22)34(53)46-27(31(38)50)8-4-16-43-35(39)40/h2-3,6-7,10-15,18,27-30H,4-5,8-9,16-17,19-20H2,1H3,(H2,38,50)(H,45,49)(H,46,53)(H,47,52)(H,48,51)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1
Affinity DataKi:  2.5nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574244(CHEMBL4852476)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C36H48IN9O5/c1-22(47)43-30(20-23-12-15-27(37)16-13-23)34(50)45-29(10-6-18-42-36(40)41)33(49)46-31(35(51)44-28(32(39)48)9-4-5-17-38)21-24-11-14-25-7-2-3-8-26(25)19-24/h2-3,7-8,11-16,19,28-31H,4-6,9-10,17-18,20-21,38H2,1H3,(H2,39,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,40,41,42)/t28-,29+,30-,31-/m1/s1
Affinity DataKi:  2.5nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocyte-stimulating hormone receptor(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50258943(CHEMBL4060087)
Show SMILES C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O
Show InChI InChI=1S/C38H53N11O9S2/c1-21-31(52)48-28(19-59)37(58)49-29(20-60)36(57)45-24(13-8-14-41-38(39)40)33(54)47-26(16-23-11-6-3-7-12-23)34(55)46-25(15-22-9-4-2-5-10-22)32(53)42-17-30(51)44-27(18-50)35(56)43-21/h2-7,9-12,21,24-29,50,59-60H,8,13-20H2,1H3,(H,42,53)(H,43,56)(H,44,51)(H,45,57)(H,46,55)(H,47,54)(H,48,52)(H,49,58)(H4,39,40,41)/t21-,24-,25-,26-,27-,28-,29-/m0/s1
Affinity DataKi:  2.60nMAssay Description:Displacement of [125I]-NDP-R-MSH from melanocortin receptor 1 in mouse B16F10 cells after 2 hrs by scintillation counting methodMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574236(CHEMBL4848948)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C32H45I2N9O5/c1-19(44)40-26(17-20-7-11-22(33)12-8-20)30(47)42-25(6-4-16-39-32(37)38)29(46)43-27(18-21-9-13-23(34)14-10-21)31(48)41-24(28(36)45)5-2-3-15-35/h7-14,24-27H,2-6,15-18,35H2,1H3,(H2,36,45)(H,40,44)(H,41,48)(H,42,47)(H,43,46)(H4,37,38,39)/t24-,25+,26-,27-/m1/s1
Affinity DataKi:  3.20nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574238(CHEMBL4848870)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C32H45I2N11O5/c1-18(46)42-25(16-19-6-10-21(33)11-7-19)29(49)44-24(5-3-15-41-32(38)39)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-23(27(35)47)4-2-14-40-31(36)37/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25+,26+/m0/s1
Affinity DataKi:  3.20nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50499284(CHEMBL3735607)
Show SMILES CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40?,41-,42+,43-,44-,45-/m0/s1
Affinity DataKi:  3.20nMAssay Description:Partial agonist activity at mouse MC3 receptor expressed in HEK293 cells assessed as NDP-MSH induced response by cAMP alpha screen based schild analy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574229(CHEMBL4848905)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C36H48IN9O5/c1-22(47)43-30(21-24-11-14-25-7-2-3-8-26(25)19-24)34(50)45-29(10-6-18-42-36(40)41)33(49)46-31(20-23-12-15-27(37)16-13-23)35(51)44-28(32(39)48)9-4-5-17-38/h2-3,7-8,11-16,19,28-31H,4-6,9-10,17-18,20-21,38H2,1H3,(H2,39,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,40,41,42)/t28-,29+,30-,31-/m1/s1
Affinity DataKi:  3.20nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089413(CHEMBL3577995)
Show SMILES C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C48H61N11O8/c1-30-41(61)57-37(28-33-18-9-4-10-19-33)46(66)59-25-13-22-39(59)47(67)58-24-12-21-38(58)45(65)54-34(20-11-23-51-48(49)50)43(63)56-36(27-32-16-7-3-8-17-32)44(64)55-35(26-31-14-5-2-6-15-31)42(62)52-29-40(60)53-30/h2-10,14-19,30,34-39H,11-13,20-29H2,1H3,(H,52,62)(H,53,60)(H,54,65)(H,55,64)(H,56,63)(H,57,61)(H4,49,50,51)/t30-,34-,35-,36-,37-,38-,39+/m0/s1
Affinity DataKi:  4nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089418(CHEMBL3578000)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C53H72N14O8/c1-33-44(68)65-41(32-36-20-9-4-10-21-36)50(74)67-29-15-25-43(67)51(75)66-28-14-24-42(66)49(73)62-38(23-13-27-59-53(56)57)46(70)63-40(31-35-18-7-3-8-19-35)48(72)64-39(30-34-16-5-2-6-17-34)47(71)61-37(45(69)60-33)22-11-12-26-58-52(54)55/h2-10,16-21,33,37-43H,11-15,22-32H2,1H3,(H,60,69)(H,61,71)(H,62,73)(H,63,70)(H,64,72)(H,65,68)(H4,54,55,58)(H4,56,57,59)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1
Affinity DataKi:  4nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089415(CHEMBL3577997)
Show SMILES C[C@@H]1NC(=O)C(CCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C50H66N12O8/c1-31-42(63)60-39(30-34-18-9-4-10-19-34)48(69)62-27-13-22-41(62)49(70)61-26-12-21-40(61)47(68)57-35(20-11-25-54-50(52)53)44(65)58-38(29-33-16-7-3-8-17-33)46(67)59-37(28-32-14-5-2-6-15-32)45(66)56-36(23-24-51)43(64)55-31/h2-10,14-19,31,35-41H,11-13,20-30,51H2,1H3,(H,55,64)(H,56,66)(H,57,68)(H,58,65)(H,59,67)(H,60,63)(H4,52,53,54)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1
Affinity DataKi:  4nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574245(CHEMBL4861645)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C36H48IN11O5/c1-21(49)45-29(19-22-11-14-26(37)15-12-22)33(52)47-28(9-5-17-44-36(41)42)32(51)48-30(20-23-10-13-24-6-2-3-7-25(24)18-23)34(53)46-27(31(38)50)8-4-16-43-35(39)40/h2-3,6-7,10-15,18,27-30H,4-5,8-9,16-17,19-20H2,1H3,(H2,38,50)(H,45,49)(H,46,53)(H,47,52)(H,48,51)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1
Affinity DataKi:  5nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574253(CHEMBL4863587)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Affinity DataKi:  5nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574242(CHEMBL4859395)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C40H51N11O5/c1-24(52)48-33(22-25-14-16-27-8-2-4-10-29(27)20-25)37(55)50-32(13-7-19-47-40(44)45)36(54)51-34(23-26-15-17-28-9-3-5-11-30(28)21-26)38(56)49-31(35(41)53)12-6-18-46-39(42)43/h2-5,8-11,14-17,20-21,31-34H,6-7,12-13,18-19,22-23H2,1H3,(H2,41,53)(H,48,52)(H,49,56)(H,50,55)(H,51,54)(H4,42,43,46)(H4,44,45,47)/t31-,32-,33+,34+/m0/s1
Affinity DataKi:  5nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089416(CHEMBL3577998)
Show SMILES C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C51H68N12O8/c1-32-43(64)61-40(31-35-19-9-4-10-20-35)49(70)63-28-14-24-42(63)50(71)62-27-13-23-41(62)48(69)58-37(22-12-26-55-51(53)54)45(66)59-39(30-34-17-7-3-8-18-34)47(68)60-38(29-33-15-5-2-6-16-33)46(67)57-36(21-11-25-52)44(65)56-32/h2-10,15-20,32,36-42H,11-14,21-31,52H2,1H3,(H,56,65)(H,57,67)(H,58,69)(H,59,66)(H,60,68)(H,61,64)(H4,53,54,55)/t32-,36?,37-,38-,39-,40-,41-,42+/m0/s1
Affinity DataKi:  5nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089417(CHEMBL3577999)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C52H70N12O8/c1-33-44(65)62-41(32-36-20-9-4-10-21-36)50(71)64-29-15-25-43(64)51(72)63-28-14-24-42(63)49(70)59-38(23-13-27-56-52(54)55)46(67)60-40(31-35-18-7-3-8-19-35)48(69)61-39(30-34-16-5-2-6-17-34)47(68)58-37(45(66)57-33)22-11-12-26-53/h2-10,16-21,33,37-43H,11-15,22-32,53H2,1H3,(H,57,66)(H,58,68)(H,59,70)(H,60,67)(H,61,69)(H,62,65)(H4,54,55,56)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1
Affinity DataKi:  5nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50080578(CHEMBL3422432)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O
Affinity DataKi: <6nMAssay Description:Antagonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells assessed as inhibition of MTII-induced response after 6 hrs by Schil...More data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50080577(CHEMBL3422433)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Affinity DataKi: <6nMAssay Description:Antagonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells assessed as inhibition of MTII-induced response after 6 hrs by Schil...More data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574240(CHEMBL4872732)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C40H51N9O5/c1-25(50)46-34(23-26-15-17-28-9-2-4-11-30(28)21-26)38(53)48-33(14-8-20-45-40(43)44)37(52)49-35(39(54)47-32(36(42)51)13-6-7-19-41)24-27-16-18-29-10-3-5-12-31(29)22-27/h2-5,9-12,15-18,21-22,32-35H,6-8,13-14,19-20,23-24,41H2,1H3,(H2,42,51)(H,46,50)(H,47,54)(H,48,53)(H,49,52)(H4,43,44,45)/t32-,33+,34-,35-/m1/s1
Affinity DataKi:  6.30nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089409(CHEMBL3577991)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C51H66N12O9/c1-31-43(65)61-39(29-34-18-9-4-10-19-34)49(71)63-27-13-22-41(63)50(72)62-26-12-21-40(62)48(70)58-35(20-11-25-55-51(53)54)44(66)59-37(28-33-16-7-3-8-17-33)47(69)57-36(24-23-32-14-5-2-6-15-32)45(67)60-38(30-42(52)64)46(68)56-31/h2-10,14-19,31,35-41H,11-13,20-30H2,1H3,(H2,52,64)(H,56,68)(H,57,69)(H,58,70)(H,59,66)(H,60,67)(H,61,65)(H4,53,54,55)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1
Affinity DataKi:  6.30nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574239(CHEMBL4866219)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C36H48IN9O5/c1-22(47)43-30(20-23-12-15-27(37)16-13-23)34(50)45-29(10-6-18-42-36(40)41)33(49)46-31(35(51)44-28(32(39)48)9-4-5-17-38)21-24-11-14-25-7-2-3-8-26(25)19-24/h2-3,7-8,11-16,19,28-31H,4-6,9-10,17-18,20-21,38H2,1H3,(H2,39,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,40,41,42)/t28-,29+,30-,31+/m1/s1
Affinity DataKi:  10nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50266704(CHEMBL4083717)
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
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
Affinity DataKi:  15nMAssay Description:Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as inhibition of NDP-MSH induced-cAMP accumulation after 2 hrs by alpha screen a...More data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574243(CHEMBL4863637)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C40H51N9O5/c1-25(50)46-34(23-26-15-17-28-9-2-4-11-30(28)21-26)38(53)48-33(14-8-20-45-40(43)44)37(52)49-35(39(54)47-32(36(42)51)13-6-7-19-41)24-27-16-18-29-10-3-5-12-31(29)22-27/h2-5,9-12,15-18,21-22,32-35H,6-8,13-14,19-20,23-24,41H2,1H3,(H2,42,51)(H,46,50)(H,47,54)(H,48,53)(H,49,52)(H4,43,44,45)/t32-,33+,34-,35+/m1/s1
Affinity DataKi:  16nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574259(CHEMBL4865888)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C36H48IN11O5/c1-21(49)45-29(19-22-11-14-26(37)15-12-22)33(52)47-28(9-5-17-44-36(41)42)32(51)48-30(20-23-10-13-24-6-2-3-7-25(24)18-23)34(53)46-27(31(38)50)8-4-16-43-35(39)40/h2-3,6-7,10-15,18,27-30H,4-5,8-9,16-17,19-20H2,1H3,(H2,38,50)(H,45,49)(H,46,53)(H,47,52)(H,48,51)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30-/m0/s1
Affinity DataKi:  16nMAssay Description:Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089411(CHEMBL3577993)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)61-39(28-33-14-4-2-5-15-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-36-20-10-19-35-18-8-9-21-37(35)36/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
Affinity DataKi:  16nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089404(CHEMBL3577986)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)62-40(30-36-20-10-19-35-18-8-9-21-37(35)36)50(72)61-39(28-33-14-4-2-5-15-33)49(71)63-41(31-45(55)67)48(70)59-32/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,72)(H,62,69)(H,63,71)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
Affinity DataKi:  16nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50252902(Ac-His-DNal(2)-Arg-Trp-NH2 | CHEMBL454736)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H45N11O5/c1-22(50)46-33(18-27-20-42-21-45-27)37(54)49-32(16-23-12-13-24-7-2-3-8-25(24)15-23)36(53)47-30(11-6-14-43-38(40)41)35(52)48-31(34(39)51)17-26-19-44-29-10-5-4-9-28(26)29/h2-5,7-10,12-13,15,19-21,30-33,44H,6,11,14,16-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32-,33+/m0/s1
Affinity DataKi:  19nMAssay Description:Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as effect on MT2 peptide-induced response by CRE/beta-galactosidase reporter gen...More data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574228(CHEMBL4870667)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O
Affinity DataKi:  20nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089398(CHEMBL3577981)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C50H64N12O9/c1-30-42(64)60-38(28-33-18-9-4-10-19-33)48(70)62-25-13-22-40(62)49(71)61-24-12-21-39(61)47(69)56-34(20-11-23-54-50(52)53)43(65)57-35(26-31-14-5-2-6-15-31)45(67)58-36(27-32-16-7-3-8-17-32)46(68)59-37(29-41(51)63)44(66)55-30/h2-10,14-19,30,34-40H,11-13,20-29H2,1H3,(H2,51,63)(H,55,66)(H,56,69)(H,57,65)(H,58,67)(H,59,68)(H,60,64)(H4,52,53,54)/t30-,34-,35-,36-,37-,38-,39-,40+/m0/s1
Affinity DataKi:  20nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574235(CHEMBL4866496)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O
Affinity DataKi:  25nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089413(CHEMBL3577995)
Show SMILES C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C48H61N11O8/c1-30-41(61)57-37(28-33-18-9-4-10-19-33)46(66)59-25-13-22-39(59)47(67)58-24-12-21-38(58)45(65)54-34(20-11-23-51-48(49)50)43(63)56-36(27-32-16-7-3-8-17-32)44(64)55-35(26-31-14-5-2-6-15-31)42(62)52-29-40(60)53-30/h2-10,14-19,30,34-39H,11-13,20-29H2,1H3,(H,52,62)(H,53,60)(H,54,65)(H,55,64)(H,56,63)(H,57,61)(H4,49,50,51)/t30-,34-,35-,36-,37-,38-,39+/m0/s1
Affinity DataKi:  25nMAssay Description:Displacement of MTII from mouse MC3R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574262(CHEMBL4876953)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Affinity DataKi:  25nMAssay Description:Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
University of Florida

Curated by ChEMBL
LigandPNGBDBM50263381(CHEMBL4097903)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2[C@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C167H256N48O50S6/c1-13-83(7)131-163(262)193-103(48-50-122(173)224)140(239)183-70-127(229)209-133(87(11)219)165(264)208-118-77-268-266-74-116-156(255)195-105(58-81(3)4)146(245)196-108(62-92-40-46-96(223)47-41-92)149(248)202-113(72-217)153(252)186-86(10)137(236)214-161(260)121(215-57-27-35-120(215)160(259)212-132(84(8)14-2)164(263)200-109(59-89-28-16-15-17-29-89)152(251)213-134(88(12)220)166(265)192-102(145(244)211-131)33-21-25-55-171)79-271-270-76-115(155(254)189-98(135(175)234)30-18-22-52-168)207-158(257)117(204-143(242)101(32-20-24-54-170)190-136(235)85(9)185-142(241)100(31-19-23-53-169)187-126(228)69-182-139(238)99(34-26-56-179-167(176)177)191-147(246)106(198-157(118)256)60-90-36-42-94(221)43-37-90)75-267-269-78-119(159(258)210-130(82(5)6)162(261)203-114(73-218)154(253)201-112(71-216)141(240)181-67-124(226)180-68-125(227)188-104(144(243)205-116)49-51-128(230)231)206-151(250)111(65-123(174)225)199-148(247)107(61-91-38-44-95(222)45-39-91)197-150(249)110(63-93-66-178-80-184-93)194-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,234)(H,178,184)(H,180,226)(H,181,240)(H,182,238)(H,183,239)(H,185,241)(H,186,252)(H,187,228)(H,188,227)(H,189,254)(H,190,235)(H,191,246)(H,192,265)(H,193,262)(H,194,237)(H,195,255)(H,196,245)(H,197,249)(H,198,256)(H,199,247)(H,200,263)(H,201,253)(H,202,248)(H,203,261)(H,204,242)(H,205,243)(H,206,250)(H,207,257)(H,208,264)(H,209,229)(H,210,258)(H,211,244)(H,212,259)(H,213,251)(H,230,231)(H,232,233)(H4,176,177,179)(H,214,236,260)/t83-,84-,85-,86-,87+,88+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,130-,131-,132-,133-,134-/m0/s1
Affinity DataKi:  30nMAssay Description:Displacement of Eu-NDP-MSH from human MC1R expressed in HEK293T cells after 2 hrs by DELFIA methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574236(CHEMBL4848948)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C32H45I2N9O5/c1-19(44)40-26(17-20-7-11-22(33)12-8-20)30(47)42-25(6-4-16-39-32(37)38)29(46)43-27(18-21-9-13-23(34)14-10-21)31(48)41-24(28(36)45)5-2-3-15-35/h7-14,24-27H,2-6,15-18,35H2,1H3,(H2,36,45)(H,40,44)(H,41,48)(H,42,47)(H,43,46)(H4,37,38,39)/t24-,25+,26-,27-/m1/s1
Affinity DataKi:  32nMAssay Description:Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574238(CHEMBL4848870)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C32H45I2N11O5/c1-18(46)42-25(16-19-6-10-21(33)11-7-19)29(49)44-24(5-3-15-41-32(38)39)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-23(27(35)47)4-2-14-40-31(36)37/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25+,26+/m0/s1
Affinity DataKi:  40nMAssay Description:Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574246(CHEMBL4852297)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Affinity DataKi:  40nMAssay Description:Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50258943(CHEMBL4060087)
Show SMILES C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O
Show InChI InChI=1S/C38H53N11O9S2/c1-21-31(52)48-28(19-59)37(58)49-29(20-60)36(57)45-24(13-8-14-41-38(39)40)33(54)47-26(16-23-11-6-3-7-12-23)34(55)46-25(15-22-9-4-2-5-10-22)32(53)42-17-30(51)44-27(18-50)35(56)43-21/h2-7,9-12,21,24-29,50,59-60H,8,13-20H2,1H3,(H,42,53)(H,43,56)(H,44,51)(H,45,57)(H,46,55)(H,47,54)(H,48,52)(H,49,58)(H4,39,40,41)/t21-,24-,25-,26-,27-,28-,29-/m0/s1
Affinity DataKi:  54nMAssay Description:Displacement of [125I]-NDP-R-MSH from mouse melanocortin receptor 4 expressed in HEK293 cells after 2 hrs by scintillation counting methodMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50115373(2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H42IN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/m0/s1
Affinity DataKi:  56nMAssay Description:Binding constant (Ki) at mouse Melanocortin-3 receptorMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089412(CHEMBL3577994)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-15-6-3-7-16-34)52(74)66-26-12-21-44(66)53(75)65-25-11-20-43(65)51(73)60-38(19-10-24-58-54(56)57)47(69)61-39(28-33-13-4-2-5-14-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-35-22-23-36-17-8-9-18-37(36)27-35/h2-9,13-18,22-23,27,32,38-44H,10-12,19-21,24-26,28-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
Affinity DataKi:  63nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574244(CHEMBL4852476)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C36H48IN9O5/c1-22(47)43-30(20-23-12-15-27(37)16-13-23)34(50)45-29(10-6-18-42-36(40)41)33(49)46-31(35(51)44-28(32(39)48)9-4-5-17-38)21-24-11-14-25-7-2-3-8-26(25)19-24/h2-3,7-8,11-16,19,28-31H,4-6,9-10,17-18,20-21,38H2,1H3,(H2,39,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,40,41,42)/t28-,29+,30-,31-/m1/s1
Affinity DataKi:  63nMAssay Description:Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50089422(CHEMBL3577978)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C82H108N22O19S4/c1-43-68(111)95-55(33-46-15-7-4-8-16-46)73(116)103-63-41-126-125-40-62(77(120)94-54(22-14-32-90-82(87)88)69(112)96-56(34-47-17-9-5-10-18-47)71(114)97-57(35-48-19-11-6-12-20-48)72(115)100-60(38-65(83)109)70(113)91-43)102-75(118)59(37-50-25-29-52(108)30-26-50)99-79(122)64(104-80(123)66(44(2)105)92-45(3)106)42-127-124-39-61(76(119)93-53(67(84)110)21-13-31-89-81(85)86)101-74(117)58(98-78(63)121)36-49-23-27-51(107)28-24-49/h4-12,15-20,23-30,43-44,53-64,66,105,107-108H,13-14,21-22,31-42H2,1-3H3,(H2,83,109)(H2,84,110)(H,91,113)(H,92,106)(H,93,119)(H,94,120)(H,95,111)(H,96,112)(H,97,114)(H,98,121)(H,99,122)(H,100,115)(H,101,117)(H,102,118)(H,103,116)(H,104,123)(H4,85,86,89)(H4,87,88,90)/t43-,44+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64-,66-/m0/s1
Affinity DataKi:  63nMAssay Description:Displacement of MTII from mouse MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574230(CHEMBL4851302)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C36H48IN11O5/c1-21(49)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)33(52)47-28(9-5-17-44-36(41)42)32(51)48-30(19-22-11-14-26(37)15-12-22)34(53)46-27(31(38)50)8-4-16-43-35(39)40/h2-3,6-7,10-15,18,27-30H,4-5,8-9,16-17,19-20H2,1H3,(H2,38,50)(H,45,49)(H,46,53)(H,47,52)(H,48,51)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1
Affinity DataKi:  79nMAssay Description:Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50574231(CHEMBL4850510)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C40H51N11O5/c1-24(52)48-33(22-25-14-16-27-8-2-4-10-29(27)20-25)37(55)50-32(13-7-19-47-40(44)45)36(54)51-34(23-26-15-17-28-9-3-5-11-30(28)21-26)38(56)49-31(35(41)53)12-6-18-46-39(42)43/h2-5,8-11,14-17,20-21,31-34H,6-7,12-13,18-19,22-23H2,1H3,(H2,41,53)(H,48,52)(H,49,56)(H,50,55)(H,51,54)(H4,42,43,46)(H4,44,45,47)/t31-,32-,33+,34-/m0/s1
Affinity DataKi:  100nMAssay Description:Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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