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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'antal zimanyi' and Initial = 'i'   
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))		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/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136366
PNG
((S)-Piperidine-3-carboxylic acid [(R)-1-(4-chloro-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2CCCNC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C29H41ClN6O2/c30-25-10-8-22(9-11-25)17-26(34-27(37)23-5-4-14-31-18-23)28(38)35-15-12-29(13-16-35,19-36-21-32-20-33-36)24-6-2-1-3-7-24/h8-11,20-21,23-24,26,31H,1-7,12-19H2,(H,34,37)/t23-,26+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136365
PNG
(CHEMBL337571 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CNCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C27H39ClN6O2/c1-29-14-11-25(35)32-24(17-21-7-9-23(28)10-8-21)26(36)33-15-12-27(13-16-33,18-34-20-30-19-31-34)22-5-3-2-4-6-22/h7-10,19-20,22,24,29H,2-6,11-18H2,1H3,(H,32,35)/t24-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136357
PNG
(CHEMBL341982 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H41ClN6O2/c1-33(2)15-12-26(36)32-25(18-22-8-10-24(29)11-9-22)27(37)34-16-13-28(14-17-34,19-35-21-30-20-31-35)23-6-4-3-5-7-23/h8-11,20-21,23,25H,3-7,12-19H2,1-2H3,(H,32,36)/t25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136372
PNG
(CHEMBL343076 | N-{2-[(R)-1-(4-Chloro-benzyl)-2-(4-...)
Show SMILES CN(C)CCC(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C31H46ClN7O3/c1-37(2)17-13-28(40)34-16-12-29(41)36-27(20-24-8-10-26(32)11-9-24)30(42)38-18-14-31(15-19-38,21-39-23-33-22-35-39)25-6-4-3-5-7-25/h8-11,22-23,25,27H,3-7,12-21H2,1-2H3,(H,34,40)(H,36,41)/t27-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136367
PNG
(CHEMBL137273 | N-{2-[(R)-1-(4-Chloro-benzyl)-2-(4-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CCNC(=O)CCN2CCCCC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H50ClN7O3/c35-29-11-9-27(10-12-29)23-30(39-32(44)13-17-37-31(43)14-20-40-18-5-2-6-19-40)33(45)41-21-15-34(16-22-41,24-42-26-36-25-38-42)28-7-3-1-4-8-28/h9-12,25-26,28,30H,1-8,13-24H2,(H,37,43)(H,39,44)/t30-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136360
PNG
(3-Acetylamino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cycl...)
Show SMILES CC(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H39ClN6O3/c1-21(36)31-14-11-26(37)33-25(17-22-7-9-24(29)10-8-22)27(38)34-15-12-28(13-16-34,18-35-20-30-19-32-35)23-5-3-2-4-6-23/h7-10,19-20,23,25H,2-6,11-18H2,1H3,(H,31,36)(H,33,37)/t25-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136364
PNG
((R)-Piperidine-3-carboxylic acid [(R)-1-(4-chloro-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@@H]2CCCNC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C29H41ClN6O2/c30-25-10-8-22(9-11-25)17-26(34-27(37)23-5-4-14-31-18-23)28(38)35-15-12-29(13-16-35,19-36-21-32-20-33-36)24-6-2-1-3-7-24/h8-11,20-21,23-24,26,31H,1-7,12-19H2,(H,34,37)/t23-,26-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136370
PNG
(3-Benzylamino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cycl...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CCNCc2ccccc2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H43ClN6O2/c34-29-13-11-26(12-14-29)21-30(38-31(41)15-18-35-22-27-7-3-1-4-8-27)32(42)39-19-16-33(17-20-39,23-40-25-36-24-37-40)28-9-5-2-6-10-28/h1,3-4,7-8,11-14,24-25,28,30,35H,2,5-6,9-10,15-23H2,(H,38,41)/t30-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136355
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C26H37ClN6O2/c27-22-8-6-20(7-9-22)16-23(31-24(34)10-13-28)25(35)32-14-11-26(12-15-32,17-33-19-29-18-30-33)21-4-2-1-3-5-21/h6-9,18-19,21,23H,1-5,10-17,28H2,(H,31,34)/t23-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SP...

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136368
PNG
(Azetidine-3-carboxylic acid [(R)-1-(4-chloro-benzy...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CNC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C27H37ClN6O2/c28-23-8-6-20(7-9-23)14-24(32-25(35)21-15-29-16-21)26(36)33-12-10-27(11-13-33,17-34-19-30-18-31-34)22-4-2-1-3-5-22/h6-9,18-19,21-22,24,29H,1-5,10-17H2,(H,32,35)/t24-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136363
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl...)
Show SMILES CC(C)(N)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H41ClN6O2/c1-27(2,30)17-25(36)33-24(16-21-8-10-23(29)11-9-21)26(37)34-14-12-28(13-15-34,18-35-20-31-19-32-35)22-6-4-3-5-7-22/h8-11,19-20,22,24H,3-7,12-18,30H2,1-2H3,(H,33,36)/t24-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136356
PNG
(CHEMBL343742 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES COCC(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C29H41ClN6O4/c1-40-18-27(38)32-14-11-26(37)34-25(17-22-7-9-24(30)10-8-22)28(39)35-15-12-29(13-16-35,19-36-21-31-20-33-36)23-5-3-2-4-6-23/h7-10,20-21,23,25H,2-6,11-19H2,1H3,(H,32,38)(H,34,37)/t25-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136369
PNG
((S)-Piperidine-3-carboxylic acid {2-[(R)-1-(4-chlo...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CCNC(=O)[C@H]2CCCNC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C32H46ClN7O3/c33-27-10-8-24(9-11-27)19-28(38-29(41)12-16-36-30(42)25-5-4-15-34-20-25)31(43)39-17-13-32(14-18-39,21-40-23-35-22-37-40)26-6-2-1-3-7-26/h8-11,22-23,25-26,28,34H,1-7,12-21H2,(H,36,42)(H,38,41)/t25-,28+/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136371
PNG
(CHEMBL343720 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C[C@@H]2CCCN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C29H41ClN6O2/c30-24-10-8-22(9-11-24)17-26(34-27(37)18-25-7-4-14-32-25)28(38)35-15-12-29(13-16-35,19-36-21-31-20-33-36)23-5-2-1-3-6-23/h8-11,20-21,23,25-26,32H,1-7,12-19H2,(H,34,37)/t25-,26+/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136361
PNG
((R)-Piperidine-3-carboxylic acid {2-[(R)-1-(4-chlo...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCCNC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C32H46ClN7O3/c33-27-10-8-24(9-11-27)19-28(38-29(41)12-16-36-30(42)25-5-4-15-34-20-25)31(43)39-17-13-32(14-18-39,21-40-23-35-22-37-40)26-6-2-1-3-7-26/h8-11,22-23,25-26,28,34H,1-7,12-21H2,(H,36,42)(H,38,41)/t25-,28-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136362
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl...)
Show SMILES CC(C)(CN)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H41ClN6O2/c1-27(2,17-30)26(37)33-24(16-21-8-10-23(29)11-9-21)25(36)34-14-12-28(13-15-34,18-35-20-31-19-32-35)22-6-4-3-5-7-22/h8-11,19-20,22,24H,3-7,12-18,30H2,1-2H3,(H,33,37)/t24-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136359
PNG
(CHEMBL136366 | N-{2-[(R)-1-(4-Chloro-benzyl)-2-(4-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CCNC(=O)c2ccccc2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O3/c34-28-13-11-25(12-14-28)21-29(38-30(41)15-18-36-31(42)26-7-3-1-4-8-26)32(43)39-19-16-33(17-20-39,22-40-24-35-23-37-40)27-9-5-2-6-10-27/h1,3-4,7-8,11-14,23-24,27,29H,2,5-6,9-10,15-22H2,(H,36,42)(H,38,41)/t29-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136373
PNG
(CHEMBL340959 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CCN(Cc2ccccc2)Cc2ccccc2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C40H49ClN6O2/c41-36-18-16-32(17-19-36)26-37(44-38(48)20-23-45(27-33-10-4-1-5-11-33)28-34-12-6-2-7-13-34)39(49)46-24-21-40(22-25-46,29-47-31-42-30-43-47)35-14-8-3-9-15-35/h1-2,4-7,10-13,16-19,30-31,35,37H,3,8-9,14-15,20-29H2,(H,44,48)/t37-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136358
PNG
(CHEMBL137318 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES FC(F)(F)C(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H36ClF3N6O3/c29-22-8-6-20(7-9-22)16-23(36-24(39)10-13-34-26(41)28(30,31)32)25(40)37-14-11-27(12-15-37,17-38-19-33-18-35-38)21-4-2-1-3-5-21/h6-9,18-19,21,23H,1-5,10-17H2,(H,34,41)(H,36,39)/t23-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135647
PNG
(CHEMBL328861 | N-(2-Benzylsulfanyl-phenyl)-N-(3-di...)
Show SMILES CC(C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2OS/c1-22(24-15-8-5-9-16-24)27(30)29(20-12-19-28(2)3)25-17-10-11-18-26(25)31-21-23-13-6-4-7-14-23/h4-11,13-18,22H,12,19-21H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135638
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-butyl-pheny...)
Show SMILES CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C24H30N2OS/c1-4-5-11-19-12-6-8-14-21(19)26(17-10-16-25(2)3)24(27)23-18-20-13-7-9-15-22(20)28-23/h6-9,12-15,18H,4-5,10-11,16-17H2,1-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135646
PNG
((1R,2R)-2-Phenyl-cyclopropanecarboxylic acid (2-be...)
Show SMILES CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C28H32N2OS/c1-29(2)18-11-19-30(28(31)25-20-24(25)23-14-7-4-8-15-23)26-16-9-10-17-27(26)32-21-22-12-5-3-6-13-22/h3-10,12-17,24-25H,11,18-21H2,1-2H3/t24-,25+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135651
PNG
(Benzo[b]thiophene-2-carboxylic acid biphenyl-2-yl-...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H26N2OS/c1-27(2)17-10-18-28(26(29)25-19-21-13-6-9-16-24(21)30-25)23-15-8-7-14-22(23)20-11-4-3-5-12-20/h3-9,11-16,19H,10,17-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135650
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C28H30N2OS2/c1-29(2)18-10-11-19-30(28(31)27-20-23-14-6-8-16-25(23)33-27)24-15-7-9-17-26(24)32-21-22-12-4-3-5-13-22/h3-9,12-17,20H,10-11,18-19,21H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135649
PNG
(Benzo[b]thiophene-2-carboxylic acid (3-dimethylami...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C28H30N2OS/c1-29(2)19-10-20-30(28(31)27-21-24-14-7-9-16-26(24)32-27)25-15-8-6-13-23(25)18-17-22-11-4-3-5-12-22/h3-9,11-16,21H,10,17-20H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135644
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzoylamin...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O2S/c1-29(2)17-10-18-30(27(32)25-19-21-13-6-9-16-24(21)33-25)23-15-8-7-14-22(23)28-26(31)20-11-4-3-5-12-20/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135645
PNG
((E)-N-(2-Benzylsulfanyl-phenyl)-N-(3-dimethylamino...)
Show SMILES CN(C)CCCN(C(=O)\C=C\c1ccccc1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H30N2OS/c1-28(2)20-11-21-29(27(30)19-18-23-12-5-3-6-13-23)25-16-9-10-17-26(25)31-22-24-14-7-4-8-15-24/h3-10,12-19H,11,20-22H2,1-2H3/b19-18+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135643
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C26H26N2OS2/c1-27(2)16-17-28(26(29)25-18-21-12-6-8-14-23(21)31-25)22-13-7-9-15-24(22)30-19-20-10-4-3-5-11-20/h3-15,18H,16-17,19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135641
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzyl-phen...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1
Show InChI InChI=1S/C27H28N2OS/c1-28(2)17-10-18-29(27(30)26-20-23-14-7-9-16-25(23)31-26)24-15-8-6-13-22(24)19-21-11-4-3-5-12-21/h3-9,11-16,20H,10,17-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135640
PNG
(3-Chloro-benzo[b]thiophene-2-carboxylic acid (2-be...)
Show SMILES CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H27ClN2OS2/c1-29(2)17-10-18-30(27(31)26-25(28)21-13-6-8-15-23(21)33-26)22-14-7-9-16-24(22)32-19-20-11-4-3-5-12-20/h3-9,11-16H,10,17-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135639
PNG
(Benzofuran-2-carboxylic acid (2-benzylsulfanyl-phe...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2o1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2O2S/c1-28(2)17-10-18-29(27(30)25-19-22-13-6-8-15-24(22)31-25)23-14-7-9-16-26(23)32-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135648
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CNCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C26H26N2OS2/c1-27-16-9-17-28(26(29)25-18-21-12-5-7-14-23(21)31-25)22-13-6-8-15-24(22)30-19-20-10-3-2-4-11-20/h2-8,10-15,18,27H,9,16-17,19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136357
PNG
(CHEMBL341982 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H41ClN6O2/c1-33(2)15-12-26(36)32-25(18-22-8-10-24(29)11-9-22)27(37)34-16-13-28(14-17-34,19-35-21-30-20-31-35)23-6-4-3-5-7-23/h8-11,20-21,23,25H,3-7,12-19H2,1-2H3,(H,32,36)/t25-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SP...

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136365
PNG
(CHEMBL337571 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CNCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C27H39ClN6O2/c1-29-14-11-25(35)32-24(17-21-7-9-23(28)10-8-21)26(36)33-15-12-27(13-16-33,18-34-20-30-19-31-34)22-5-3-2-4-6-22/h7-10,19-20,22,24,29H,2-6,11-18H2,1H3,(H,32,35)/t24-/m1/s1
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n/an/an/an/a 70n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136355
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C26H37ClN6O2/c27-22-8-6-20(7-9-22)16-23(31-24(34)10-13-28)25(35)32-14-11-26(12-15-32,17-33-19-29-18-30-33)21-4-2-1-3-5-21/h6-9,18-19,21,23H,1-5,10-17,28H2,(H,31,34)/t23-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SP...

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
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 3.60n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SP...

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)