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PubMed code 16005624

Compile data set for download or QSAR
Found 97 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))		BDBM50024377
PNG
(CHEMBL2113037)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170420
PNG
((4R,5S)-4-(4-Chloro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C33H34Cl2N4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-7-24(34)8-6-22)3-4-23-19-31(43-28-15-9-25(35)10-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29-,30+/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170458
PNG
((4R,5S)-4-(2,4-Dichloro-phenyl)-piperidine-3-carbo...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C33H33Cl3N4O3S/c1-20(38-32(41)29-19-37-16-15-27(29)28-14-7-23(35)18-30(28)36)3-4-21-17-31(44-26-12-5-22(34)6-13-26)39-40(33(21)42)24-8-10-25(43-2)11-9-24/h5-14,17-18,20,27,29,37H,3-4,15-16,19H2,1-2H3,(H,38,41)/t20-,27-,29+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170426
PNG
((4R,5S)-4-(4-Trifluoromethyl-phenyl)-piperidine-3-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C34H34ClF3N4O3S/c1-21(40-32(43)30-20-39-18-17-29(30)22-5-7-24(8-6-22)34(36,37)38)3-4-23-19-31(46-28-15-9-25(35)10-16-28)41-42(33(23)44)26-11-13-27(45-2)14-12-26/h5-16,19,21,29-30,39H,3-4,17-18,20H2,1-2H3,(H,40,43)/t21-,29-,30+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170433
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C34H36ClFN4O3S/c1-22(37-33(41)31-21-39(2)19-18-30(31)23-6-10-26(36)11-7-23)4-5-24-20-32(44-29-16-8-25(35)9-17-29)38-40(34(24)42)27-12-14-28(43-3)15-13-27/h6-17,20,22,30-31H,4-5,18-19,21H2,1-3H3,(H,37,41)/t22-,30-,31+/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170440
PNG
((4R,5S)-4-p-Tolyl-piperidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C34H37ClN4O3S/c1-22-4-7-24(8-5-22)30-18-19-36-21-31(30)33(40)37-23(2)6-9-25-20-32(43-29-16-10-26(35)11-17-29)38-39(34(25)41)27-12-14-28(42-3)15-13-27/h4-5,7-8,10-17,20,23,30-31,36H,6,9,18-19,21H2,1-3H3,(H,37,40)/t23-,30-,31+/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170429
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29-,30+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170447
PNG
((4R,5S)-4-(2-Fluoro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccccc2F)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)29-20-36-18-17-27(29)28-5-3-4-6-30(28)35)7-8-22-19-31(43-26-15-9-23(34)10-16-26)38-39(33(22)41)24-11-13-25(42-2)14-12-24/h3-6,9-16,19,21,27,29,36H,7-8,17-18,20H2,1-2H3,(H,37,40)/t21-,27-,29+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170448
PNG
((4R,5S)-4-Naphthalen-2-yl-piperidine-3-carboxylic ...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C37H37ClN4O3S/c1-24(40-36(43)34-23-39-20-19-33(34)27-10-9-25-5-3-4-6-26(25)21-27)7-8-28-22-35(46-32-17-11-29(38)12-18-32)41-42(37(28)44)30-13-15-31(45-2)16-14-30/h3-6,9-18,21-22,24,33-34,39H,7-8,19-20,23H2,1-2H3,(H,40,43)/t24-,33-,34+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170450
PNG
((4R,5S)-4-(4-Methoxy-phenyl)-pyrrolidine-3-carboxy...)
Show SMILES COc1ccc(cc1)[C@H]1CNC[C@@H]1C(=O)N[C@H](C)CCc1cc(Sc2ccc(Cl)cc2)nn(-c2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C33H35ClN4O4S/c1-21(36-32(39)30-20-35-19-29(30)22-6-12-26(41-2)13-7-22)4-5-23-18-31(43-28-16-8-24(34)9-17-28)37-38(33(23)40)25-10-14-27(42-3)15-11-25/h6-18,21,29-30,35H,4-5,19-20H2,1-3H3,(H,36,39)/t21-,29-,30+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024372
PNG
(CHEMBL2113043)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024377
PNG
(CHEMBL2113037)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170438
PNG
(6-(4-Chloro-phenylsulfanyl)-4-((R)-3-{[(4R,5S)-4-(...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC[C@H]2CNCC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H36ClFN4O2S/c1-22(37-21-25-20-36-18-17-31(25)23-5-9-27(35)10-6-23)3-4-24-19-32(42-30-15-7-26(34)8-16-30)38-39(33(24)40)28-11-13-29(41-2)14-12-28/h5-16,19,22,25,31,36-37H,3-4,17-18,20-21H2,1-2H3/t22-,25-,31-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170441
PNG
((S)-1-(4-Fluoro-phenyl)-piperazine-2-carboxylic ac...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@@H]2CNCCN2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H33ClFN5O3S/c1-21(36-31(40)29-20-35-17-18-38(29)25-9-7-24(34)8-10-25)3-4-22-19-30(43-28-15-5-23(33)6-16-28)37-39(32(22)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29,35H,3-4,17-18,20H2,1-2H3,(H,36,40)/t21-,29+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170417
PNG
((4R,5S)-4-p-Tolyl-pyrrolidine-3-carboxylic acid {(...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C33H35ClN4O3S/c1-21-4-7-23(8-5-21)29-19-35-20-30(29)32(39)36-22(2)6-9-24-18-31(42-28-16-10-25(34)11-17-28)37-38(33(24)40)26-12-14-27(41-3)15-13-26/h4-5,7-8,10-18,22,29-30,35H,6,9,19-20H2,1-3H3,(H,36,39)/t22-,29-,30+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136514
PNG
((3R,4S)-4-Phenyl-piperidine-3-carboxylic acid {(R)...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C33H35ClN4O3S/c1-22(36-32(39)30-21-35-19-18-29(30)23-6-4-3-5-7-23)8-9-24-20-31(42-28-16-10-25(34)11-17-28)37-38(33(24)40)26-12-14-27(41-2)15-13-26/h3-7,10-17,20,22,29-30,35H,8-9,18-19,21H2,1-2H3,(H,36,39)/t22-,29-,30+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170428
PNG
((2S,3S)-3-(2,4-Dichloro-phenyl)-piperidine-4-carbo...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C33H33Cl3N4O3S/c1-20(38-32(41)28-15-16-37-19-29(28)27-14-7-23(35)18-30(27)36)3-4-21-17-31(44-26-12-5-22(34)6-13-26)39-40(33(21)42)24-8-10-25(43-2)11-9-24/h5-14,17-18,20,28-29,37H,3-4,15-16,19H2,1-2H3,(H,38,41)/t20-,28+,29-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170434
PNG
((4R,5S)-4-(3-Chloro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C33H34Cl2N4O3S/c1-21(37-32(40)30-20-36-17-16-29(30)22-4-3-5-25(35)18-22)6-7-23-19-31(43-28-14-8-24(34)9-15-28)38-39(33(23)41)26-10-12-27(42-2)13-11-26/h3-5,8-15,18-19,21,29-30,36H,6-7,16-17,20H2,1-2H3,(H,37,40)/t21-,29-,30+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170455
PNG
((2S,3S)-3-(4-Cyano-phenyl)-piperidine-4-carboxylic...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C34H34ClN5O3S/c1-22(38-33(41)30-17-18-37-21-31(30)24-7-4-23(20-36)5-8-24)3-6-25-19-32(44-29-15-9-26(35)10-16-29)39-40(34(25)42)27-11-13-28(43-2)14-12-27/h4-5,7-16,19,22,30-31,37H,3,6,17-18,21H2,1-2H3,(H,38,41)/t22-,30+,31-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170454
PNG
((4R,5S)-4-(4-Chloro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C32H32Cl2N4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-7-23(33)8-6-21)3-4-22-17-30(42-27-15-9-24(34)10-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-17,20,28-29,35H,3-4,18-19H2,1-2H3,(H,36,39)/t20-,28-,29+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024374
PNG
(CHEMBL2113039)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C32H34ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-16,20,22,28-29,35H,3-4,17-19H2,1-2H3,(H,36,39)/t20-,22?,28-,29+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170445
PNG
((2S,3S)-3-(4-Chloro-phenyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C33H34Cl2N4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-7-24(34)8-6-22)3-4-23-19-31(43-28-15-9-25(35)10-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29+,30-/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170424
PNG
((4R,5S)-4-(2,4-Difluoro-phenyl)-pyrrolidine-3-carb...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C32H31ClF2N4O3S/c1-19(37-31(40)28-18-36-17-27(28)26-14-7-22(34)16-29(26)35)3-4-20-15-30(43-25-12-5-21(33)6-13-25)38-39(32(20)41)23-8-10-24(42-2)11-9-23/h5-16,19,27-28,36H,3-4,17-18H2,1-2H3,(H,37,40)/t19-,27-,28+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170453
PNG
((2S,3S)-3-(4-Fluoro-phenyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29+,30-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170427
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H32ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-17,20,28-29,35H,3-4,18-19H2,1-2H3,(H,36,39)/t20-,28-,29+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170425
PNG
((4R,5S)-4-Naphthalen-1-yl-piperidine-3-carboxylic ...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2cccc3ccccc23)c1=O
Show InChI InChI=1S/C37H37ClN4O3S/c1-24(40-36(43)34-23-39-21-20-33(34)32-9-5-7-25-6-3-4-8-31(25)32)10-11-26-22-35(46-30-18-12-27(38)13-19-30)41-42(37(26)44)28-14-16-29(45-2)17-15-28/h3-9,12-19,22,24,33-34,39H,10-11,20-21,23H2,1-2H3,(H,40,43)/t24-,33-,34+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170457
PNG
(CHEMBL365675 | Trans 4-(4-Fluoro-phenyl)-piperidin...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)N(C)C(=O)C2CNCCC2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C34H36ClFN4O3S/c1-22(39(2)34(42)31-21-37-19-18-30(31)23-6-10-26(36)11-7-23)4-5-24-20-32(44-29-16-8-25(35)9-17-29)38-40(33(24)41)27-12-14-28(43-3)15-13-27/h6-17,20,22,30-31,37H,4-5,18-19,21H2,1-3H3/t22-,30?,31?/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170461
PNG
((2S,3S)-3-(2-Fluoro-phenyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccccc2F)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)28-17-18-36-20-29(28)27-5-3-4-6-30(27)35)7-8-22-19-31(43-26-15-9-23(34)10-16-26)38-39(33(22)41)24-11-13-25(42-2)14-12-24/h3-6,9-16,19,21,28-29,36H,7-8,17-18,20H2,1-2H3,(H,37,40)/t21-,28+,29-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170460
PNG
((4R,5S)-4-(3-Trifluoromethyl-phenyl)-piperidine-3-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2cccc(c2)C(F)(F)F)c1=O
Show InChI InChI=1S/C34H34ClF3N4O3S/c1-21(40-32(43)30-20-39-17-16-29(30)22-4-3-5-24(18-22)34(36,37)38)6-7-23-19-31(46-28-14-8-25(35)9-15-28)41-42(33(23)44)26-10-12-27(45-2)13-11-26/h3-5,8-15,18-19,21,29-30,39H,6-7,16-17,20H2,1-2H3,(H,40,43)/t21-,29-,30+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170456
PNG
((4R,5S)-4-Thiophen-3-yl-piperidine-3-carboxylic ac...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccsc2)c1=O
Show InChI InChI=1S/C31H33ClN4O3S2/c1-20(34-30(37)28-18-33-15-13-27(28)22-14-16-40-19-22)3-4-21-17-29(41-26-11-5-23(32)6-12-26)35-36(31(21)38)24-7-9-25(39-2)10-8-24/h5-12,14,16-17,19-20,27-28,33H,3-4,13,15,18H2,1-2H3,(H,34,37)/t20-,27-,28+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136530
PNG
((3S,4S)-3-Phenyl-piperidine-4-carboxylic acid {(R)...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C33H35ClN4O3S/c1-22(36-32(39)29-18-19-35-21-30(29)23-6-4-3-5-7-23)8-9-24-20-31(42-28-16-10-25(34)11-17-28)37-38(33(24)40)26-12-14-27(41-2)15-13-26/h3-7,10-17,20,22,29-30,35H,8-9,18-19,21H2,1-2H3,(H,36,39)/t22-,29+,30-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170449
PNG
((4R,5S)-4-(2-Fluoro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2F)c1=O
Show InChI InChI=1S/C32H32ClFN4O3S/c1-20(36-31(39)28-19-35-18-27(28)26-5-3-4-6-29(26)34)7-8-21-17-30(42-25-15-9-22(33)10-16-25)37-38(32(21)40)23-11-13-24(41-2)14-12-23/h3-6,9-17,20,27-28,35H,7-8,18-19H2,1-2H3,(H,36,39)/t20-,27-,28+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170431
PNG
((2S,3S)-3-(4-Trifluoromethyl-phenyl)-piperidine-4-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C34H34ClF3N4O3S/c1-21(40-32(43)29-17-18-39-20-30(29)22-5-7-24(8-6-22)34(36,37)38)3-4-23-19-31(46-28-15-9-25(35)10-16-28)41-42(33(23)44)26-11-13-27(45-2)14-12-26/h5-16,19,21,29-30,39H,3-4,17-18,20H2,1-2H3,(H,40,43)/t21-,29+,30-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50024377
PNG
(CHEMBL2113037)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 1 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50024374
PNG
(CHEMBL2113039)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C32H34ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-16,20,22,28-29,35H,3-4,17-19H2,1-2H3,(H,36,39)/t20-,22?,28-,29+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 1 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170439
PNG
(6-(4-Chloro-phenylsulfanyl)-4-((R)-3-{[(4S,5R)-4-(...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H36ClFN4O2S/c1-22(37-21-25-20-36-18-17-31(25)23-5-9-27(35)10-6-23)3-4-24-19-32(42-30-15-7-26(34)8-16-30)38-39(33(24)40)28-11-13-29(41-2)14-12-28/h5-16,19,22,25,31,36-37H,3-4,17-18,20-21H2,1-2H3/t22-,25+,31+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170419
PNG
((2R,3S)-3-(4-Fluoro-benzyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C34H36ClFN4O3S/c1-22(38-33(41)31-17-18-37-21-25(31)19-23-4-9-27(36)10-5-23)3-6-24-20-32(44-30-15-7-26(35)8-16-30)39-40(34(24)42)28-11-13-29(43-2)14-12-28/h4-5,7-16,20,22,25,31,37H,3,6,17-19,21H2,1-2H3,(H,38,41)/t22-,25+,31+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50024377
PNG
(CHEMBL2113037)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170459
PNG
((4R,5S)-4-(3-Fluoro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2cccc(F)c2)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)30-20-36-17-16-29(30)22-4-3-5-25(35)18-22)6-7-23-19-31(43-28-14-8-24(34)9-15-28)38-39(33(23)41)26-10-12-27(42-2)13-11-26/h3-5,8-15,18-19,21,29-30,36H,6-7,16-17,20H2,1-2H3,(H,37,40)/t21-,29-,30+/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024372
PNG
(CHEMBL2113043)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024373
PNG
(CHEMBL2113042)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@@H]2CNCC[C@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50024374
PNG
(CHEMBL2113039)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C32H34ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-16,20,22,28-29,35H,3-4,17-19H2,1-2H3,(H,36,39)/t20-,22?,28-,29+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170435
PNG
((2R,3S)-3-Benzyl-piperidine-4-carboxylic acid {(R)...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2Cc2ccccc2)c1=O
Show InChI InChI=1S/C34H37ClN4O3S/c1-23(37-33(40)31-18-19-36-22-26(31)20-24-6-4-3-5-7-24)8-9-25-21-32(43-30-16-10-27(35)11-17-30)38-39(34(25)41)28-12-14-29(42-2)15-13-28/h3-7,10-17,21,23,26,31,36H,8-9,18-20,22H2,1-2H3,(H,37,40)/t23-,26+,31+/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024375
PNG
(CHEMBL2113040)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C32H34ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-16,20,22,28-29,35H,3-4,17-19H2,1-2H3,(H,36,39)/t20-,22?,28+,29-/m1/s1
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n/an/a 780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50170429
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29-,30+/m1/s1
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n/an/a 840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50170429
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29-,30+/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 of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170463
PNG
((R)-1-(4-Fluoro-phenyl)-piperazine-2-carboxylic ac...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCCN2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H33ClFN5O3S/c1-21(36-31(40)29-20-35-17-18-38(29)25-9-7-24(34)8-10-25)3-4-22-19-30(43-28-15-5-23(33)6-16-28)37-39(32(22)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29,35H,3-4,17-18,20H2,1-2H3,(H,36,40)/t21-,29-/m1/s1
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n/an/a 950n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170464
PNG
((S)-1-(4-Fluoro-phenyl)-piperazine-2-carboxylic ac...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@H](C)NC(=O)[C@@H]2CNCCN2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H33ClFN5O3S/c1-21(36-31(40)29-20-35-17-18-38(29)25-9-7-24(34)8-10-25)3-4-22-19-30(43-28-15-5-23(33)6-16-28)37-39(32(22)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29,35H,3-4,17-18,20H2,1-2H3,(H,36,40)/t21-,29-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170462
PNG
((R)-1-(4-Fluoro-phenyl)-piperazine-2-carboxylic ac...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@H](C)NC(=O)[C@H]2CNCCN2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H33ClFN5O3S/c1-21(36-31(40)29-20-35-17-18-38(29)25-9-7-24(34)8-10-25)3-4-22-19-30(43-28-15-5-23(33)6-16-28)37-39(32(22)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29,35H,3-4,17-18,20H2,1-2H3,(H,36,40)/t21-,29+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50024377
PNG
(CHEMBL2113037)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50024372
PNG
(CHEMBL2113043)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 1 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50170453
PNG
((2S,3S)-3-(4-Fluoro-phenyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29+,30-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024376
PNG
(CHEMBL2113038)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@@H]2CCNC[C@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50170427
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H32ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-17,20,28-29,35H,3-4,18-19H2,1-2H3,(H,36,39)/t20-,28-,29+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50024374
PNG
(CHEMBL2113039)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C32H34ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-16,20,22,28-29,35H,3-4,17-19H2,1-2H3,(H,36,39)/t20-,22?,28-,29+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50170427
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H32ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-17,20,28-29,35H,3-4,18-19H2,1-2H3,(H,36,39)/t20-,28-,29+/m1/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 of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor expressed in CHO cells

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50024372
PNG
(CHEMBL2113043)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50024372
PNG
(CHEMBL2113043)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024373
PNG
(CHEMBL2113042)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@@H]2CNCC[C@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024375
PNG
(CHEMBL2113040)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C32H34ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-16,20,22,28-29,35H,3-4,17-19H2,1-2H3,(H,36,39)/t20-,22?,28+,29-/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170427
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H32ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-17,20,28-29,35H,3-4,18-19H2,1-2H3,(H,36,39)/t20-,28-,29+/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170419
PNG
((2R,3S)-3-(4-Fluoro-benzyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C34H36ClFN4O3S/c1-22(38-33(41)31-17-18-37-21-25(31)19-23-4-9-27(36)10-5-23)3-6-24-20-32(44-30-15-7-26(35)8-16-30)39-40(34(24)42)28-11-13-29(43-2)14-12-28/h4-5,7-16,20,22,25,31,37H,3,6,17-19,21H2,1-2H3,(H,38,41)/t22-,25+,31+/m1/s1
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n/an/an/an/a 630n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170438
PNG
(6-(4-Chloro-phenylsulfanyl)-4-((R)-3-{[(4R,5S)-4-(...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC[C@H]2CNCC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H36ClFN4O2S/c1-22(37-21-25-20-36-18-17-31(25)23-5-9-27(35)10-6-23)3-4-24-19-32(42-30-15-7-26(34)8-16-30)38-39(33(24)40)28-11-13-29(41-2)14-12-28/h5-16,19,22,25,31,36-37H,3-4,17-18,20-21H2,1-2H3/t22-,25-,31-/m1/s1
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n/an/an/an/a 470n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170426
PNG
((4R,5S)-4-(4-Trifluoromethyl-phenyl)-piperidine-3-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C34H34ClF3N4O3S/c1-21(40-32(43)30-20-39-18-17-29(30)22-5-7-24(8-6-22)34(36,37)38)3-4-23-19-31(46-28-15-9-25(35)10-16-28)41-42(33(23)44)26-11-13-27(45-2)14-12-26/h5-16,19,21,29-30,39H,3-4,17-18,20H2,1-2H3,(H,40,43)/t21-,29-,30+/m1/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
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170445
PNG
((2S,3S)-3-(4-Chloro-phenyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C33H34Cl2N4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-7-24(34)8-6-22)3-4-23-19-31(43-28-15-9-25(35)10-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29+,30-/m1/s1
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170440
PNG
((4R,5S)-4-p-Tolyl-piperidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C34H37ClN4O3S/c1-22-4-7-24(8-5-22)30-18-19-36-21-31(30)33(40)37-23(2)6-9-25-20-32(43-29-16-10-26(35)11-17-29)38-39(34(25)41)27-12-14-28(42-3)15-13-27/h4-5,7-8,10-17,20,23,30-31,36H,6,9,18-19,21H2,1-3H3,(H,37,40)/t23-,30-,31+/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170428
PNG
((2S,3S)-3-(2,4-Dichloro-phenyl)-piperidine-4-carbo...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C33H33Cl3N4O3S/c1-20(38-32(41)28-15-16-37-19-29(28)27-14-7-23(35)18-30(27)36)3-4-21-17-31(44-26-12-5-22(34)6-13-26)39-40(33(21)42)24-8-10-25(43-2)11-9-24/h5-14,17-18,20,28-29,37H,3-4,15-16,19H2,1-2H3,(H,38,41)/t20-,28+,29-/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50024374
PNG
(CHEMBL2113039)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C32H34ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-16,20,22,28-29,35H,3-4,17-19H2,1-2H3,(H,36,39)/t20-,22?,28-,29+/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin 1 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170449
PNG
((4R,5S)-4-(2-Fluoro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2F)c1=O
Show InChI InChI=1S/C32H32ClFN4O3S/c1-20(36-31(39)28-19-35-18-27(28)26-5-3-4-6-29(26)34)7-8-21-17-30(42-25-15-9-22(33)10-16-25)37-38(32(21)40)23-11-13-24(41-2)14-12-23/h3-6,9-17,20,27-28,35H,7-8,18-19H2,1-2H3,(H,36,39)/t20-,27-,28+/m1/s1
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n/an/an/an/a 710n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136530
PNG
((3S,4S)-3-Phenyl-piperidine-4-carboxylic acid {(R)...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C33H35ClN4O3S/c1-22(36-32(39)29-18-19-35-21-30(29)23-6-4-3-5-7-23)8-9-24-20-31(42-28-16-10-25(34)11-17-28)37-38(33(24)40)26-12-14-27(41-2)15-13-26/h3-7,10-17,20,22,29-30,35H,8-9,18-19,21H2,1-2H3,(H,36,39)/t22-,29+,30-/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170441
PNG
((S)-1-(4-Fluoro-phenyl)-piperazine-2-carboxylic ac...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@@H]2CNCCN2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H33ClFN5O3S/c1-21(36-31(40)29-20-35-17-18-38(29)25-9-7-24(34)8-10-25)3-4-22-19-30(43-28-15-5-23(33)6-16-28)37-39(32(22)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29,35H,3-4,17-18,20H2,1-2H3,(H,36,40)/t21-,29+/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024372
PNG
(CHEMBL2113043)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50024377
PNG
(CHEMBL2113037)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin 5 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170461
PNG
((2S,3S)-3-(2-Fluoro-phenyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccccc2F)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)28-17-18-36-20-29(28)27-5-3-4-6-30(27)35)7-8-22-19-31(43-26-15-9-23(34)10-16-26)38-39(33(22)41)24-11-13-25(42-2)14-12-24/h3-6,9-16,19,21,28-29,36H,7-8,17-18,20H2,1-2H3,(H,37,40)/t21-,28+,29-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170417
PNG
((4R,5S)-4-p-Tolyl-pyrrolidine-3-carboxylic acid {(...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C33H35ClN4O3S/c1-21-4-7-23(8-5-21)29-19-35-20-30(29)32(39)36-22(2)6-9-24-18-31(42-28-16-10-25(34)11-17-28)37-38(33(24)40)26-12-14-27(41-3)15-13-26/h4-5,7-8,10-18,22,29-30,35H,6,9,19-20H2,1-3H3,(H,36,39)/t22-,29-,30+/m1/s1
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n/an/an/an/a 750n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170433
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C34H36ClFN4O3S/c1-22(37-33(41)31-21-39(2)19-18-30(31)23-6-10-26(36)11-7-23)4-5-24-20-32(44-29-16-8-25(35)9-17-29)38-40(34(24)42)27-12-14-28(43-3)15-13-27/h6-17,20,22,30-31H,4-5,18-19,21H2,1-3H3,(H,37,41)/t22-,30-,31+/m1/s1
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n/an/an/an/a 320n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170447
PNG
((4R,5S)-4-(2-Fluoro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccccc2F)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)29-20-36-18-17-27(29)28-5-3-4-6-30(28)35)7-8-22-19-31(43-26-15-9-23(34)10-16-26)38-39(33(22)41)24-11-13-25(42-2)14-12-24/h3-6,9-16,19,21,27,29,36H,7-8,17-18,20H2,1-2H3,(H,37,40)/t21-,27-,29+/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170429
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29-,30+/m1/s1
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n/an/an/an/a 61n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170424
PNG
((4R,5S)-4-(2,4-Difluoro-phenyl)-pyrrolidine-3-carb...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C32H31ClF2N4O3S/c1-19(37-31(40)28-18-36-17-27(28)26-14-7-22(34)16-29(26)35)3-4-20-15-30(43-25-12-5-21(33)6-13-25)38-39(32(20)41)23-8-10-24(42-2)11-9-23/h5-16,19,27-28,36H,3-4,17-18H2,1-2H3,(H,37,40)/t19-,27-,28+/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170450
PNG
((4R,5S)-4-(4-Methoxy-phenyl)-pyrrolidine-3-carboxy...)
Show SMILES COc1ccc(cc1)[C@H]1CNC[C@@H]1C(=O)N[C@H](C)CCc1cc(Sc2ccc(Cl)cc2)nn(-c2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C33H35ClN4O4S/c1-21(36-32(39)30-20-35-19-29(30)22-6-12-26(41-2)13-7-22)4-5-23-18-31(43-28-16-8-24(34)9-17-28)37-38(33(23)40)25-10-14-27(42-3)15-11-25/h6-18,21,29-30,35H,4-5,19-20H2,1-3H3,(H,36,39)/t21-,29-,30+/m1/s1
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n/an/an/an/a 430n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024377
PNG
(CHEMBL2113037)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/an/an/a 390n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024374
PNG
(CHEMBL2113039)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C32H34ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-16,20,22,28-29,35H,3-4,17-19H2,1-2H3,(H,36,39)/t20-,22?,28-,29+/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170454
PNG
((4R,5S)-4-(4-Chloro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C32H32Cl2N4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-7-23(33)8-6-21)3-4-22-17-30(42-27-15-9-24(34)10-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-17,20,28-29,35H,3-4,18-19H2,1-2H3,(H,36,39)/t20-,28-,29+/m1/s1
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n/an/an/an/a 230n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170453
PNG
((2S,3S)-3-(4-Fluoro-phenyl)-piperidine-4-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C33H34ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29+,30-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170420
PNG
((4R,5S)-4-(4-Chloro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C33H34Cl2N4O3S/c1-21(37-32(40)30-20-36-18-17-29(30)22-5-7-24(34)8-6-22)3-4-23-19-31(43-28-15-9-25(35)10-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29-30,36H,3-4,17-18,20H2,1-2H3,(H,37,40)/t21-,29-,30+/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170431
PNG
((2S,3S)-3-(4-Trifluoromethyl-phenyl)-piperidine-4-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C34H34ClF3N4O3S/c1-21(40-32(43)29-17-18-39-20-30(29)22-5-7-24(8-6-22)34(36,37)38)3-4-23-19-31(46-28-15-9-25(35)10-16-28)41-42(33(23)44)26-11-13-27(45-2)14-12-26/h5-16,19,21,29-30,39H,3-4,17-18,20H2,1-2H3,(H,40,43)/t21-,29+,30-/m1/s1
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n/an/an/an/a 710n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170455
PNG
((2S,3S)-3-(4-Cyano-phenyl)-piperidine-4-carboxylic...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C34H34ClN5O3S/c1-22(38-33(41)30-17-18-37-21-31(30)24-7-4-23(20-36)5-8-24)3-6-25-19-32(44-29-15-9-26(35)10-16-29)39-40(34(25)42)27-11-13-28(43-2)14-12-27/h4-5,7-16,19,22,30-31,37H,3,6,17-18,21H2,1-2H3,(H,38,41)/t22-,30+,31-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024376
PNG
(CHEMBL2113038)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@@H]2CCNC[C@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29-,30+/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50024372
PNG
(CHEMBL2113043)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin 3 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50024372
PNG
(CHEMBL2113043)
Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin 1 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170457
PNG
(CHEMBL365675 | Trans 4-(4-Fluoro-phenyl)-piperidin...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)N(C)C(=O)C2CNCCC2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C34H36ClFN4O3S/c1-22(39(2)34(42)31-21-37-19-18-30(31)23-6-10-26(36)11-7-23)4-5-24-20-32(44-29-16-8-25(35)9-17-29)38-40(33(24)41)27-12-14-28(43-3)15-13-27/h6-17,20,22,30-31,37H,4-5,18-19,21H2,1-3H3/t22-,30?,31?/m1/s1
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n/an/an/an/a 410n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170456
PNG
((4R,5S)-4-Thiophen-3-yl-piperidine-3-carboxylic ac...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccsc2)c1=O
Show InChI InChI=1S/C31H33ClN4O3S2/c1-20(34-30(37)28-18-33-15-13-27(28)22-14-16-40-19-22)3-4-21-17-29(41-26-11-5-23(32)6-12-26)35-36(31(21)38)24-7-9-25(39-2)10-8-24/h5-12,14,16-17,19-20,27-28,33H,3-4,13,15,18H2,1-2H3,(H,34,37)/t20-,27-,28+/m1/s1
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n/an/an/an/a 490n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136514
PNG
((3R,4S)-4-Phenyl-piperidine-3-carboxylic acid {(R)...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C33H35ClN4O3S/c1-22(36-32(39)30-21-35-19-18-29(30)23-6-4-3-5-7-23)8-9-24-20-31(42-28-16-10-25(34)11-17-28)37-38(33(24)40)26-12-14-27(41-2)15-13-26/h3-7,10-17,20,22,29-30,35H,8-9,18-19,21H2,1-2H3,(H,36,39)/t22-,29-,30+/m1/s1
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n/an/an/an/a 180n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50170427
PNG
((4R,5S)-4-(4-Fluoro-phenyl)-pyrrolidine-3-carboxyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C32H32ClFN4O3S/c1-20(36-31(39)29-19-35-18-28(29)21-5-9-24(34)10-6-21)3-4-22-17-30(42-27-15-7-23(33)8-16-27)37-38(32(22)40)25-11-13-26(41-2)14-12-25/h5-17,20,28-29,35H,3-4,18-19H2,1-2H3,(H,36,39)/t20-,28-,29+/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin 3 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50170434
PNG
((4R,5S)-4-(3-Chloro-phenyl)-piperidine-3-carboxyli...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C33H34Cl2N4O3S/c1-21(37-32(40)30-20-36-17-16-29(30)22-4-3-5-25(35)18-22)6-7-23-19-31(43-28-14-8-24(34)9-15-28)38-39(33(23)41)26-10-12-27(42-2)13-11-26/h3-5,8-15,18-19,21,29-30,36H,6-7,16-17,20H2,1-2H3,(H,37,40)/t21-,29-,30+/m1/s1
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n/an/an/an/a 680n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay

Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%