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PubMed code 15982875

Compile data set for download or QSAR
Found 46 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))		BDBM50169445
PNG
((1S,4R,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@@H]2CC[C@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28-,29+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169444
PNG
((1S,4S,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27-,28+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024351
PNG
(CHEMBL2113031)
Show SMILES [H][C@]12CC[C@]([H])(NC1)[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
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
Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
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/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169443
PNG
((1R,4S,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27-,28+,29+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169440
PNG
((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
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/a 118n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]NDP-a...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50169445
PNG
((1S,4R,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@@H]2CC[C@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28-,29+/m1/s1
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n/an/a 410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50169444
PNG
((1S,4S,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27-,28+/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50024351
PNG
(CHEMBL2113031)
Show SMILES [H][C@]12CC[C@]([H])(NC1)[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50024351
PNG
(CHEMBL2113031)
Show SMILES [H][C@]12CC[C@]([H])(NC1)[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 5 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169444
PNG
((1S,4S,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27-,28+/m0/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]NDP-a...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169445
PNG
((1S,4R,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@@H]2CC[C@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28-,29+/m1/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]NDP-a...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50169443
PNG
((1R,4S,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27-,28+,29+/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50169440
PNG
((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1
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n/an/a 2.06E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against mouse melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against rat melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors expr...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169443
PNG
((1R,4S,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27-,28+,29+/m0/s1
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n/an/a 6.46E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 5 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against dog melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors expr...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169440
PNG
((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1
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n/an/a 9.87E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]NDP-a...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Adrenocorticotropic hormone receptor


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 2 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/a 7.50E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 1 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/a 9.42E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/a 9.45E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 5 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169445
PNG
((1S,4R,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@@H]2CC[C@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28-,29+/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 8.50E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]-NDP-...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
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
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation in human melanocortin receptor (hMC4R)

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169444
PNG
((1S,4S,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27-,28+/m0/s1
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n/an/an/an/a 52n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 8.50E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation in human melanocortin receptor (hMC5R)

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation in rat melanocortin receptor (rMC4R)

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169440
PNG
((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1
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n/an/an/an/a 238n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 8.50E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]-NDP-...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP-...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024351
PNG
(CHEMBL2113031)
Show SMILES [H][C@]12CC[C@]([H])(NC1)[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
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
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 3 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 1.60E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation in human melanocortin receptor (hMC1R)

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation in mouse melanocortin receptor (mMC4R)

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169443
PNG
((1R,4S,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27-,28+,29+/m0/s1
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n/an/an/an/a 165n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP-...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 1.60E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration (binding affinity) exhibited against human melanocortin receptor 1 by radio labeled ligand assay (Displacement of [125I]-NDP-...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169443
PNG
((1R,4S,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27-,28+,29+/m0/s1
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n/an/an/an/a 850n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation in dog melanocortin receptor (dMC4R)

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
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
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50169440
PNG
((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1
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n/an/an/an/a 1.98E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]-NDP...

Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%