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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'cismowski' and Initial = 'm'   
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 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 1.40n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
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 29n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 5 receptor (hMC5R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50134488
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50134486
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r|
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Adrenocorticotropic hormone receptor


(Mus musculus)		BDBM50134486
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r|
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134487
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2cccc(Cl)c2Cn2cncn2)cc1
Show InChI InChI=1S/C32H33Cl2N7O2/c33-25-10-8-22(9-11-25)16-29(38-31(42)28-17-23-4-1-2-5-24(23)18-36-28)32(43)40-14-12-39(13-15-40)30-7-3-6-27(34)26(30)19-41-21-35-20-37-41/h1-11,20-21,28-29,36H,12-19H2,(H,38,42)/t28-,29-/m1/s1
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n/an/an/an/a 470n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50134488
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a 38n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 4 receptor (mMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Adrenocorticotropic hormone receptor


(Mus musculus)		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134489
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C35H35ClN6O3/c36-28-13-11-24(12-14-28)20-31(40-34(44)30-21-25-6-1-2-7-26(25)23-38-30)35(45)42-18-16-41(17-19-42)32-10-4-3-9-29(32)39-33(43)27-8-5-15-37-22-27/h1-15,22,30-31,38H,16-21,23H2,(H,39,43)(H,40,44)/t30-,31-/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50134486
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r|
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 5 receptor (hMC5R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		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 8.80n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 4 receptor (mMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50134488
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 1 receptor (hMC1R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134491
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC(C)(C)CN(Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)S(C)(=O)=O
Show InChI InChI=1S/C36H46ClN5O4S/c1-36(2,3)25-42(47(4,45)46)24-29-11-7-8-12-33(29)40-17-19-41(20-18-40)35(44)32(21-26-13-15-30(37)16-14-26)39-34(43)31-22-27-9-5-6-10-28(27)23-38-31/h5-16,31-32,38H,17-25H2,1-4H3,(H,39,43)/t31-,32-/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50134488
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 5 receptor (hMC5R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134492
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES COCC(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C32H36ClN5O4/c1-42-21-30(39)35-26-8-4-5-9-29(26)37-14-16-38(17-15-37)32(41)28(18-22-10-12-25(33)13-11-22)36-31(40)27-19-23-6-2-3-7-24(23)20-34-27/h2-13,27-28,34H,14-21H2,1H3,(H,35,39)(H,36,40)/t27-,28-/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 5 receptor (hMC5R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134494
PNG
(CHEMBL127461 | N-[2-(4-{(R)-3-(4-Chloro-phenyl)-2-...)
Show SMILES COC(=O)C(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C32H34ClN5O5/c1-43-32(42)30(40)35-25-8-4-5-9-28(25)37-14-16-38(17-15-37)31(41)27(18-21-10-12-24(33)13-11-21)36-29(39)26-19-22-6-2-3-7-23(22)20-34-26/h2-13,26-27,34H,14-20H2,1H3,(H,35,40)(H,36,39)/t26-,27-/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134493
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CN(c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)S(C)(=O)=O
Show InChI InChI=1S/C31H36ClN5O4S/c1-35(42(2,40)41)28-9-5-6-10-29(28)36-15-17-37(18-16-36)31(39)27(19-22-11-13-25(32)14-12-22)34-30(38)26-20-23-7-3-4-8-24(23)21-33-26/h3-14,26-27,33H,15-21H2,1-2H3,(H,34,38)/t26-,27-/m1/s1
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n/an/an/an/a 520n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134486
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r|
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134495
PNG
(1'-[3-(4-chlorophenyl)-2-[(3R)-1,2-dihydro-3-isoqu...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)c2ccccc12
Show InChI InChI=1S/C32H35ClN4O4S/c1-42(40,41)37-21-32(26-8-4-5-9-29(26)37)14-16-36(17-15-32)31(39)28(18-22-10-12-25(33)13-11-22)35-30(38)27-19-23-6-2-3-7-24(23)20-34-27/h2-13,27-28,34H,14-21H2,1H3,(H,35,38)/t27-,28-/m1/s1
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n/an/an/an/a 190n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134499
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCC(CC)N(Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)S(C)(=O)=O
Show InChI InChI=1S/C36H46ClN5O4S/c1-4-31(5-2)42(47(3,45)46)25-29-12-8-9-13-34(29)40-18-20-41(21-19-40)36(44)33(22-26-14-16-30(37)17-15-26)39-35(43)32-23-27-10-6-7-11-28(27)24-38-32/h6-17,31-33,38H,4-5,18-25H2,1-3H3,(H,39,43)/t32-,33-/m1/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134496
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CS(=O)(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C30H34ClN5O4S/c1-41(39,40)34-25-8-4-5-9-28(25)35-14-16-36(17-15-35)30(38)27(18-21-10-12-24(31)13-11-21)33-29(37)26-19-22-6-2-3-7-23(22)20-32-26/h2-13,26-27,32,34H,14-20H2,1H3,(H,33,37)/t26-,27-/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134498
PNG
(CHEMBL333071 | {3-[2-(4-{(R)-3-(4-Chloro-phenyl)-2...)
Show SMILES CCOC(=O)CNC(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H39ClN6O5/c1-2-46-31(42)22-37-34(45)39-27-9-5-6-10-30(27)40-15-17-41(18-16-40)33(44)29(19-23-11-13-26(35)14-12-23)38-32(43)28-20-24-7-3-4-8-25(24)21-36-28/h3-14,28-29,36H,2,15-22H2,1H3,(H,38,43)(H2,37,39,45)/t28-,29-/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 1 receptor (hMC1R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134497
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C30H31ClF3N5O4S/c31-23-11-9-20(10-12-23)17-26(36-28(40)25-18-21-5-1-2-6-22(21)19-35-25)29(41)39-15-13-38(14-16-39)27-8-4-3-7-24(27)37-44(42,43)30(32,33)34/h1-12,25-26,35,37H,13-19H2,(H,36,40)/t25-,26-/m1/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Adrenocorticotropic hormone receptor


(Mus musculus)		BDBM50134488
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134500
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC(C)S(=O)(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C32H38ClN5O4S/c1-22(2)43(41,42)36-27-9-5-6-10-30(27)37-15-17-38(18-16-37)32(40)29(19-23-11-13-26(33)14-12-23)35-31(39)28-20-24-7-3-4-8-25(24)21-34-28/h3-14,22,28-29,34,36H,15-21H2,1-2H3,(H,35,39)/t28-,29-/m1/s1
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n/an/an/an/a 440n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134501
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2NC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C37H39ClN6O3/c38-30-16-14-26(15-17-30)22-33(41-35(45)32-23-28-10-4-5-11-29(28)25-39-32)36(46)44-20-18-43(19-21-44)34-13-7-6-12-31(34)42-37(47)40-24-27-8-2-1-3-9-27/h1-17,32-33,39H,18-25H2,(H,41,45)(H2,40,42,47)/t32-,33-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134488
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(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 1.60n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 1 receptor (hMC1R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134502
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C31H34ClN5O3/c1-21(38)34-26-8-4-5-9-29(26)36-14-16-37(17-15-36)31(40)28(18-22-10-12-25(32)13-11-22)35-30(39)27-19-23-6-2-3-7-24(23)20-33-27/h2-13,27-28,33H,14-20H2,1H3,(H,34,38)(H,35,39)/t27-,28-/m1/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50134486
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r|
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 1 receptor (hMC1R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/an/an/a 7.60n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 4 receptor (mMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134504
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2c(Cn3cncn3)ccc3ccccc23)cc1
Show InChI InChI=1S/C36H36ClN7O2/c37-30-13-9-25(10-14-30)19-33(41-35(45)32-20-27-6-1-2-7-28(27)21-39-32)36(46)43-17-15-42(16-18-43)34-29(22-44-24-38-23-40-44)12-11-26-5-3-4-8-31(26)34/h1-14,23-24,32-33,39H,15-22H2,(H,41,45)/t32-,33-/m1/s1
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n/an/an/an/a 170n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134503
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES FC(F)(F)c1ccc(N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)c(Cn2cncn2)c1
Show InChI InChI=1S/C33H33ClF3N7O2/c34-27-8-5-22(6-9-27)15-29(41-31(45)28-17-23-3-1-2-4-24(23)18-39-28)32(46)43-13-11-42(12-14-43)30-10-7-26(33(35,36)37)16-25(30)19-44-21-38-20-40-44/h1-10,16,20-21,28-29,39H,11-15,17-19H2,(H,41,45)/t28-,29-/m1/s1
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n/an/an/an/a 680n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134505
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES COc1ccc(Cn2cncn2)c(c1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C33H36ClN7O3/c1-44-28-11-8-26(20-41-22-35-21-37-41)31(18-28)39-12-14-40(15-13-39)33(43)30(16-23-6-9-27(34)10-7-23)38-32(42)29-17-24-4-2-3-5-25(24)19-36-29/h2-11,18,21-22,29-30,36H,12-17,19-20H2,1H3,(H,38,42)/t29-,30-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Adrenocorticotropic hormone receptor


(Mus musculus)		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>1.00E+4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
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 6.10n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human melanocortin receptor-4 (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134506
PNG
(CHEMBL127491 | ethyl [2-(2-{4-[3-(4-chlorophenyl)-...)
Show SMILES CCOC(=O)NC(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C33H37ClN6O5/c1-2-45-33(44)38-32(43)37-26-9-5-6-10-29(26)39-15-17-40(18-16-39)31(42)28(19-22-11-13-25(34)14-12-22)36-30(41)27-20-23-7-3-4-8-24(23)21-35-27/h3-14,27-28,35H,2,15-21H2,1H3,(H,36,41)(H2,37,38,43,44)/t27-,28-/m1/s1
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n/an/an/an/a 650n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50134486
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r|
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 4 receptor (mMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134509
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC(C)CN(Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)S(C)(=O)=O
Show InChI InChI=1S/C35H44ClN5O4S/c1-25(2)23-41(46(3,44)45)24-29-10-6-7-11-33(29)39-16-18-40(19-17-39)35(43)32(20-26-12-14-30(36)15-13-26)38-34(42)31-21-27-8-4-5-9-28(27)22-37-31/h4-15,25,31-32,37H,16-24H2,1-3H3,(H,38,42)/t31-,32-/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134507
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCC(C)N(Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)S(C)(=O)=O
Show InChI InChI=1S/C35H44ClN5O4S/c1-4-25(2)41(46(3,44)45)24-29-11-7-8-12-33(29)39-17-19-40(20-18-39)35(43)32(21-26-13-15-30(36)16-14-26)38-34(42)31-22-27-9-5-6-10-28(27)23-37-31/h5-16,25,31-32,37H,4,17-24H2,1-3H3,(H,38,42)/t25?,31-,32-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134508
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCN(Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)S(C)(=O)=O
Show InChI InChI=1S/C33H40ClN5O4S/c1-3-39(44(2,42)43)23-27-10-6-7-11-31(27)37-16-18-38(19-17-37)33(41)30(20-24-12-14-28(34)15-13-24)36-32(40)29-21-25-8-4-5-9-26(25)22-35-29/h4-15,29-30,35H,3,16-23H2,1-2H3,(H,36,40)/t29-,30-/m1/s1
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n/an/an/an/a 690n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair