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PubMed code 15808454

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164760
PNG
((2S,5S)-5-Ethyl-piperazine-2-carboxylic acid [(R)-...)
Show SMILES CC[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H50FN5O3/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41)/t25-,26+,27-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164772
PNG
((2S,5S)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27+,28-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164763
PNG
((2S,5S)-5-Isopropyl-piperazine-2-carboxylic acid [...)
Show SMILES CC(C)[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42)/t26-,27-,28+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164766
PNG
((2S,5S)-5-(1-Methyl-cyclopropyl)-piperazine-2-carb...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C1(C)CC1)C1CCCCC1
Show InChI InChI=1S/C34H52FN5O3/c1-32(2,3)39-31(43)34(24-8-6-5-7-9-24)16-18-40(19-17-34)30(42)26(20-23-10-12-25(35)13-11-23)38-29(41)27-21-37-28(22-36-27)33(4)14-15-33/h10-13,24,26-28,36-37H,5-9,14-22H2,1-4H3,(H,38,41)(H,39,43)/t26-,27+,28-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164775
PNG
((2S,5S)-5-tert-Butyl-piperazine-2-carboxylic acid ...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C34H54FN5O3/c1-32(2,3)28-22-36-27(21-37-28)29(41)38-26(20-23-12-14-25(35)15-13-23)30(42)40-18-16-34(17-19-40,24-10-8-7-9-11-24)31(43)39-33(4,5)6/h12-15,24,26-28,36-37H,7-11,16-22H2,1-6H3,(H,38,41)(H,39,43)/t26-,27+,28-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164762
PNG
((2S,5S)-5-Methyl-piperazine-2-carboxylic acid [(R)...)
Show SMILES C[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H48FN5O3/c1-21-19-34-26(20-33-21)27(38)35-25(18-22-10-12-24(32)13-11-22)28(39)37-16-14-31(15-17-37,23-8-6-5-7-9-23)29(40)36-30(2,3)4/h10-13,21,23,25-26,33-34H,5-9,14-20H2,1-4H3,(H,35,38)(H,36,40)/t21-,25+,26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164771
PNG
((2S,5S)-5-Cyclopropyl-piperazine-2-carboxylic acid...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C33H50FN5O3/c1-32(2,3)38-31(42)33(24-7-5-4-6-8-24)15-17-39(18-16-33)30(41)26(19-22-9-13-25(34)14-10-22)37-29(40)28-21-35-27(20-36-28)23-11-12-23/h9-10,13-14,23-24,26-28,35-36H,4-8,11-12,15-21H2,1-3H3,(H,37,40)(H,38,42)/t26-,27-,28+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027169
PNG
(CHEMBL2028962)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C1CNC[C@H](N1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-22(2)27-20-35-21-28(36-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42)/t26-,27?,28+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027168
PNG
(CHEMBL2028961)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CNC2(CC2)CN1)C1CCCCC1
Show InChI InChI=1S/C32H48FN5O3/c1-30(2,3)37-29(41)32(23-7-5-4-6-8-23)15-17-38(18-16-32)28(40)25(19-22-9-11-24(33)12-10-22)36-27(39)26-20-35-31(13-14-31)21-34-26/h9-12,23,25-26,34-35H,4-8,13-21H2,1-3H3,(H,36,39)(H,37,41)/t25-,26+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]-NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027174
PNG
(CHEMBL2028957)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)[C@@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42)/t26-,27+,28+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027172
PNG
(CHEMBL2028960)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C1(C)CC1)C1CCCCC1
Show InChI InChI=1S/C34H52FN5O3/c1-32(2,3)39-31(43)34(24-8-6-5-7-9-24)16-18-40(19-17-34)30(42)26(20-23-10-12-25(35)13-11-23)38-29(41)27-21-37-28(22-36-27)33(4)14-15-33/h10-13,24,26-28,36-37H,5-9,14-22H2,1-4H3,(H,38,41)(H,39,43)/t26-,27+,28+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027170
PNG
(CHEMBL2028958)
Show SMILES CC(F)(F)C(O)=O.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C33H50FN5O3/c1-32(2,3)38-31(42)33(24-7-5-4-6-8-24)15-17-39(18-16-33)30(41)26(19-22-9-13-25(34)14-10-22)37-29(40)28-21-35-27(20-36-28)23-11-12-23/h9-10,13-14,23-24,26-28,35-36H,4-8,11-12,15-21H2,1-3H3,(H,37,40)(H,38,42)/t26-,27+,28+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027171
PNG
(CHEMBL2028959)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C34H54FN5O3/c1-32(2,3)28-22-36-27(21-37-28)29(41)38-26(20-23-12-14-25(35)15-13-23)30(42)40-18-16-34(17-19-40,24-10-8-7-9-11-24)31(43)39-33(4,5)6/h12-15,24,26-28,36-37H,7-11,16-22H2,1-6H3,(H,38,41)(H,39,43)/t26-,27+,28+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027173
PNG
(CHEMBL2028956)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H50FN5O3/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41)/t25-,26-,27+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164774
PNG
((2S,5R)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27-,28+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50027174
PNG
(CHEMBL2028957)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)[C@@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42)/t26-,27+,28+/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50027172
PNG
(CHEMBL2028960)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C1(C)CC1)C1CCCCC1
Show InChI InChI=1S/C34H52FN5O3/c1-32(2,3)39-31(43)34(24-8-6-5-7-9-24)16-18-40(19-17-34)30(42)26(20-23-10-12-25(35)13-11-23)38-29(41)27-21-37-28(22-36-27)33(4)14-15-33/h10-13,24,26-28,36-37H,5-9,14-22H2,1-4H3,(H,38,41)(H,39,43)/t26-,27+,28+/m1/s1
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n/an/an/an/a 920n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164771
PNG
((2S,5S)-5-Cyclopropyl-piperazine-2-carboxylic acid...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C33H50FN5O3/c1-32(2,3)38-31(42)33(24-7-5-4-6-8-24)15-17-39(18-16-33)30(41)26(19-22-9-13-25(34)14-10-22)37-29(40)28-21-35-27(20-36-28)23-11-12-23/h9-10,13-14,23-24,26-28,35-36H,4-8,11-12,15-21H2,1-3H3,(H,37,40)(H,38,42)/t26-,27-,28+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50027170
PNG
(CHEMBL2028958)
Show SMILES CC(F)(F)C(O)=O.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C33H50FN5O3/c1-32(2,3)38-31(42)33(24-7-5-4-6-8-24)15-17-39(18-16-33)30(41)26(19-22-9-13-25(34)14-10-22)37-29(40)28-21-35-27(20-36-28)23-11-12-23/h9-10,13-14,23-24,26-28,35-36H,4-8,11-12,15-21H2,1-3H3,(H,37,40)(H,38,42)/t26-,27+,28+/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50164772
PNG
((2S,5S)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27+,28-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 3 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027168
PNG
(CHEMBL2028961)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CNC2(CC2)CN1)C1CCCCC1
Show InChI InChI=1S/C32H48FN5O3/c1-30(2,3)37-29(41)32(23-7-5-4-6-8-23)15-17-38(18-16-32)28(40)25(19-22-9-11-24(33)12-10-22)36-27(39)26-20-35-31(13-14-31)21-34-26/h9-12,23,25-26,34-35H,4-8,13-21H2,1-3H3,(H,36,39)(H,37,41)/t25-,26+/m1/s1
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n/an/an/an/a 41n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027169
PNG
(CHEMBL2028962)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C1CNC[C@H](N1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-22(2)27-20-35-21-28(36-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42)/t26-,27?,28+/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164760
PNG
((2S,5S)-5-Ethyl-piperazine-2-carboxylic acid [(R)-...)
Show SMILES CC[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H50FN5O3/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41)/t25-,26+,27-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]-NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027174
PNG
(CHEMBL2028957)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)[C@@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42)/t26-,27+,28+/m1/s1
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n/an/an/an/a 42n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027170
PNG
(CHEMBL2028958)
Show SMILES CC(F)(F)C(O)=O.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C33H50FN5O3/c1-32(2,3)38-31(42)33(24-7-5-4-6-8-24)15-17-39(18-16-33)30(41)26(19-22-9-13-25(34)14-10-22)37-29(40)28-21-35-27(20-36-28)23-11-12-23/h9-10,13-14,23-24,26-28,35-36H,4-8,11-12,15-21H2,1-3H3,(H,37,40)(H,38,42)/t26-,27+,28+/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027172
PNG
(CHEMBL2028960)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C1(C)CC1)C1CCCCC1
Show InChI InChI=1S/C34H52FN5O3/c1-32(2,3)39-31(43)34(24-8-6-5-7-9-24)16-18-40(19-17-34)30(42)26(20-23-10-12-25(35)13-11-23)38-29(41)27-21-37-28(22-36-27)33(4)14-15-33/h10-13,24,26-28,36-37H,5-9,14-22H2,1-4H3,(H,38,41)(H,39,43)/t26-,27+,28+/m1/s1
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n/an/an/an/a 93n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50164772
PNG
((2S,5S)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27+,28-/m0/s1
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n/an/an/an/a 450n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50164766
PNG
((2S,5S)-5-(1-Methyl-cyclopropyl)-piperazine-2-carb...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C1(C)CC1)C1CCCCC1
Show InChI InChI=1S/C34H52FN5O3/c1-32(2,3)39-31(43)34(24-8-6-5-7-9-24)16-18-40(19-17-34)30(42)26(20-23-10-12-25(35)13-11-23)38-29(41)27-21-37-28(22-36-27)33(4)14-15-33/h10-13,24,26-28,36-37H,5-9,14-22H2,1-4H3,(H,38,41)(H,39,43)/t26-,27+,28-/m1/s1
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50027171
PNG
(CHEMBL2028959)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C34H54FN5O3/c1-32(2,3)28-22-36-27(21-37-28)29(41)38-26(20-23-12-14-25(35)15-13-23)30(42)40-18-16-34(17-19-40,24-10-8-7-9-11-24)31(43)39-33(4,5)6/h12-15,24,26-28,36-37H,7-11,16-22H2,1-6H3,(H,38,41)(H,39,43)/t26-,27+,28+/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164763
PNG
((2S,5S)-5-Isopropyl-piperazine-2-carboxylic acid [...)
Show SMILES CC(C)[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42)/t26-,27-,28+/m1/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]-NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164772
PNG
((2S,5S)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27+,28-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]-NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50164775
PNG
((2S,5S)-5-tert-Butyl-piperazine-2-carboxylic acid ...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C34H54FN5O3/c1-32(2,3)28-22-36-27(21-37-28)29(41)38-26(20-23-12-14-25(35)15-13-23)30(42)40-18-16-34(17-19-40,24-10-8-7-9-11-24)31(43)39-33(4,5)6/h12-15,24,26-28,36-37H,7-11,16-22H2,1-6H3,(H,38,41)(H,39,43)/t26-,27+,28-/m1/s1
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n/an/an/an/a 360n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50164760
PNG
((2S,5S)-5-Ethyl-piperazine-2-carboxylic acid [(R)-...)
Show SMILES CC[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H50FN5O3/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41)/t25-,26+,27-/m0/s1
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n/an/an/an/a 710n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027171
PNG
(CHEMBL2028959)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@@H](CN1)C(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C34H54FN5O3/c1-32(2,3)28-22-36-27(21-37-28)29(41)38-26(20-23-12-14-25(35)15-13-23)30(42)40-18-16-34(17-19-40,24-10-8-7-9-11-24)31(43)39-33(4,5)6/h12-15,24,26-28,36-37H,7-11,16-22H2,1-6H3,(H,38,41)(H,39,43)/t26-,27+,28+/m1/s1
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n/an/an/an/a 91n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164775
PNG
((2S,5S)-5-tert-Butyl-piperazine-2-carboxylic acid ...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C34H54FN5O3/c1-32(2,3)28-22-36-27(21-37-28)29(41)38-26(20-23-12-14-25(35)15-13-23)30(42)40-18-16-34(17-19-40,24-10-8-7-9-11-24)31(43)39-33(4,5)6/h12-15,24,26-28,36-37H,7-11,16-22H2,1-6H3,(H,38,41)(H,39,43)/t26-,27+,28-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50164771
PNG
((2S,5S)-5-Cyclopropyl-piperazine-2-carboxylic acid...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C33H50FN5O3/c1-32(2,3)38-31(42)33(24-7-5-4-6-8-24)15-17-39(18-16-33)30(41)26(19-22-9-13-25(34)14-10-22)37-29(40)28-21-35-27(20-36-28)23-11-12-23/h9-10,13-14,23-24,26-28,35-36H,4-8,11-12,15-21H2,1-3H3,(H,37,40)(H,38,42)/t26-,27-,28+/m1/s1
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n/an/an/an/a 760n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50164763
PNG
((2S,5S)-5-Isopropyl-piperazine-2-carboxylic acid [...)
Show SMILES CC(C)[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42)/t26-,27-,28+/m1/s1
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n/an/an/an/a 340n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50164762
PNG
((2S,5S)-5-Methyl-piperazine-2-carboxylic acid [(R)...)
Show SMILES C[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H48FN5O3/c1-21-19-34-26(20-33-21)27(38)35-25(18-22-10-12-24(32)13-11-22)28(39)37-16-14-31(15-17-37,23-8-6-5-7-9-23)29(40)36-30(2,3)4/h10-13,21,23,25-26,33-34H,5-9,14-20H2,1-4H3,(H,35,38)(H,36,40)/t21-,25+,26-/m0/s1
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n/an/an/an/a 880n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164766
PNG
((2S,5S)-5-(1-Methyl-cyclopropyl)-piperazine-2-carb...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C1(C)CC1)C1CCCCC1
Show InChI InChI=1S/C34H52FN5O3/c1-32(2,3)39-31(43)34(24-8-6-5-7-9-24)16-18-40(19-17-34)30(42)26(20-23-10-12-25(35)13-11-23)38-29(41)27-21-37-28(22-36-27)33(4)14-15-33/h10-13,24,26-28,36-37H,5-9,14-22H2,1-4H3,(H,38,41)(H,39,43)/t26-,27+,28-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50027168
PNG
(CHEMBL2028961)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CNC2(CC2)CN1)C1CCCCC1
Show InChI InChI=1S/C32H48FN5O3/c1-30(2,3)37-29(41)32(23-7-5-4-6-8-23)15-17-38(18-16-32)28(40)25(19-22-9-11-24(33)12-10-22)36-27(39)26-20-35-31(13-14-31)21-34-26/h9-12,23,25-26,34-35H,4-8,13-21H2,1-3H3,(H,36,39)(H,37,41)/t25-,26+/m1/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 3 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50164774
PNG
((2S,5R)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27-,28+/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164774
PNG
((2S,5R)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27-,28+/m1/s1
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n/an/an/an/a 330n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50164762
PNG
((2S,5S)-5-Methyl-piperazine-2-carboxylic acid [(R)...)
Show SMILES C[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H48FN5O3/c1-21-19-34-26(20-33-21)27(38)35-25(18-22-10-12-24(32)13-11-22)28(39)37-16-14-31(15-17-37,23-8-6-5-7-9-23)29(40)36-30(2,3)4/h10-13,21,23,25-26,33-34H,5-9,14-20H2,1-4H3,(H,35,38)(H,36,40)/t21-,25+,26-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]-NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50027173
PNG
(CHEMBL2028956)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H50FN5O3/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41)/t25-,26-,27+/m1/s1
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n/an/an/an/a 45n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027173
PNG
(CHEMBL2028956)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H50FN5O3/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41)/t25-,26-,27+/m1/s1
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%