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Compile Data Set for Download or QSAR

Found 950 hits with Last Name = 'miller' and Initial = 'rr'   
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))		BDBM50119367
PNG
((3R)-N-[(2R)-3-(4-chlorophenyl)-1-{4-cyclohexyl-4-...)
Show SMILES Cn1nnnc1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-30(37-38-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells

J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168724
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50329956
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r|
Show InChI InChI=1S/C35H44ClF2N5O/c1-21-14-24-27(16-29(21)36)35(17-28(24)34(5,6)32-39-20-40-41(32)7)10-12-42(13-11-35)31(44)26-19-43(33(2,3)4)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,20,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor

Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50329959
PNG
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)
Show SMILES CN(C1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(C[C@@H](c3cc(C)c(Cl)cc23)C(C)(C)c2ncnn2C)CC1)C1CCOCC1 |r|
Show InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32(30)37(2,3)36-42-22-43-45(36)5)10-12-46(13-11-38)35(47)29-19-26(44(4)25-8-14-48-15-9-25)18-28(29)27-7-6-24(40)17-34(27)41/h6-7,16-17,20,22,25-26,28-29,32H,8-15,18-19,21H2,1-5H3/t26?,28-,29+,32-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor

Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50119371
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
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+/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells

J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348579
PNG
(CHEMBL1801215)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27+,28-,30+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168725
PNG
(1-[2-[((R)-3-Amino-1,2,3,4-tetrahydro-naphthalene-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CC1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(27-11-5-4-6-12-27)17-19-41(20-18-36)33(43)31(21-24-13-15-28(37)16-14-24)39-32(42)29-22-25-9-7-8-10-26(25)23-30(29)38/h7-10,13-16,27,29-31H,4-6,11-12,17-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29?,30?,31-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		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 0.600n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against rat Melanocortin-4 receptor (rMC4R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells

J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348554
PNG
(CHEMBL1801095)
Show SMILES CN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C35H46ClF2N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(43)39(7)8)11-13-40(14-12-35)31(42)26-20-41(33(2,3)4)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,11-14,18-20H2,1-8H3/t25-,26+,28-/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168726
PNG
(1-[(R)-2-[((1R,2R)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCc2ccccc2[C@@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30-,31+/m1/s1
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n/an/a 0.770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50340458
PNG
(CHEMBL1762009 | Cis-(3S,5R)-N-((R)-1-(4-(tert-buty...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H50ClN5O3/c1-22-20-38(21-23(2)34-22)30(41)35-27(19-24-11-13-26(33)14-12-24)28(39)37-17-15-32(16-18-37,25-9-7-6-8-10-25)29(40)36-31(3,4)5/h11-14,22-23,25,27,34H,6-10,15-21H2,1-5H3,(H,35,41)(H,36,40)/t22-,23+,27-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells

Bioorg Med Chem Lett 21: 2330-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.090
BindingDB Entry DOI: 10.7270/Q22R3S0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50329958
PNG
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)c1ncnn1C |r|
Show InChI InChI=1S/C36H44ClF2N5O2/c1-22-15-26-29(17-31(22)37)36(18-30(26)35(2,3)34-40-21-41-42(34)4)9-11-43(12-10-36)33(45)28-20-44(24-7-13-46-14-8-24)19-27(28)25-6-5-23(38)16-32(25)39/h5-6,15-17,21,24,27-28,30H,7-14,18-20H2,1-4H3/t27-,28+,30-/m0/s1
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n/an/a 0.840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor

Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348574
PNG
(CHEMBL1801146)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C37H48ClF2N3O3/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-15-46-16-14-42)9-11-41(12-10-37)33(44)28-22-43(35(2,3)4)21-27(28)25-8-7-24(39)18-32(25)40/h7-8,17-19,27-28,30H,9-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348580
PNG
(CHEMBL1801216)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27-,28+,30-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50563889
PNG
(CHEMBL4783524)
Show SMILES COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(OC)cc1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD1 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563889
PNG
(CHEMBL4783524)
Show SMILES COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(OC)cc1
PDB
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TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168727
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1-methyl-1,2,3,4-tetrah...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@@]1(C)N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-35(2,3)41-34(45)37(27-11-6-5-7-12-27)20-22-42(23-21-37)33(44)31(24-25-14-17-28(38)18-15-25)40-32(43)30-19-16-26-10-8-9-13-29(26)36(30,4)39/h8-10,13-15,17-18,27,30-31H,5-7,11-12,16,19-24,39H2,1-4H3,(H,40,43)(H,41,45)/t30-,31-,36-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50024350
PNG
(CHEMBL2113041)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCCc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-36(2,3)41-35(45)37(27-12-5-4-6-13-27)20-22-42(23-21-37)34(44)31(24-25-16-18-28(38)19-17-25)40-33(43)30-15-9-11-26-10-7-8-14-29(26)32(30)39/h7-8,10,14,16-19,27,30-32H,4-6,9,11-13,15,20-24,39H2,1-3H3,(H,40,43)(H,41,45)/t30?,31-,32?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348572
PNG
(CHEMBL1801144)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC1 |r|
Show InChI InChI=1S/C36H46ClF2N3O2/c1-22-16-25-28(18-30(22)37)36(19-29(25)35(5,6)33(44)41-12-7-13-41)10-14-40(15-11-36)32(43)27-21-42(34(2,3)4)20-26(27)24-9-8-23(38)17-31(24)39/h8-9,16-18,26-27,29H,7,10-15,19-21H2,1-6H3/t26-,27+,29-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563887
PNG
(CHEMBL4785918)
Show SMILES COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-n1cccn1)c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
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/a 1.20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation

J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50119366
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Cn1nnc(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)n1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-38-30(37-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells

J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
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/a 1.20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against human Melanocortin-4 receptor (hMC4R) by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells

J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563885
PNG
(CHEMBL4796629)
Show SMILES Oc1nc(ncc1C(=O)NCc1ccc(cc1)-c1ccccc1)-n1cccn1
PDB
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348581
PNG
(CHEMBL1801217)
Show SMILES CO[C@@H]1CCN(C1)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-16-27-30(18-32(23)39)38(19-31(27)37(5,6)35(46)43-13-10-25(20-43)47-7)11-14-42(15-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-9-8-24(40)17-33(26)41/h8-9,16-18,25,28-29,31H,10-15,19-22H2,1-7H3/t25-,28+,29-,31+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563884
PNG
(CHEMBL4781541)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)c1cnc(nc1O)-n1cccn1 |r|
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TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348578
PNG
(CHEMBL1801150)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@H](F)C1 |r|
Show InChI InChI=1S/C37H47ClF3N3O2/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)43-12-9-24(40)19-43)10-13-42(14-11-37)33(45)28-21-44(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)41/h7-8,15-17,24,27-28,30H,9-14,18-21H2,1-6H3/t24-,27-,28+,30-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348577
PNG
(CHEMBL1801149)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C37H47ClF3N3O2/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)43-12-9-24(40)19-43)10-13-42(14-11-37)33(45)28-21-44(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)41/h7-8,15-17,24,27-28,30H,9-14,18-21H2,1-6H3/t24-,27+,28-,30+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348575
PNG
(CHEMBL1801147)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CO2 |r|
Show InChI InChI=1S/C38H48ClF2N3O3/c1-22-13-27-30(16-32(22)39)38(17-31(27)37(5,6)35(46)44-18-25-15-24(44)21-47-25)9-11-42(12-10-38)34(45)29-20-43(36(2,3)4)19-28(29)26-8-7-23(40)14-33(26)41/h7-8,13-14,16,24-25,28-29,31H,9-12,15,17-21H2,1-6H3/t24-,25-,28-,29+,31-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50329957
PNG
(((3R,4R)-1-tert-butyl-3-(2,4-difluorophenyl)piperi...)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CCN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r|
Show InChI InChI=1S/C36H46ClF2N5O/c1-22-16-26-28(18-30(22)37)36(19-29(26)35(5,6)33-40-21-41-42(33)7)11-14-43(15-12-36)32(45)25-10-13-44(34(2,3)4)20-27(25)24-9-8-23(38)17-31(24)39/h8-9,16-18,21,25,27,29H,10-15,19-20H2,1-7H3/t25-,27+,29+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor

Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348576
PNG
(CHEMBL1801148)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C37H48ClF2N3O2/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-7-8-14-42)11-15-41(16-12-37)33(44)28-22-43(35(2,3)4)21-27(28)25-10-9-24(39)18-32(25)40/h9-10,17-19,27-28,30H,7-8,11-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348573
PNG
(CHEMBL1801145)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC(F)(F)C1 |r|
Show InChI InChI=1S/C36H44ClF4N3O2/c1-21-13-24-27(15-29(21)37)35(16-28(24)34(5,6)32(46)43-19-36(40,41)20-43)9-11-42(12-10-35)31(45)26-18-44(33(2,3)4)17-25(26)23-8-7-22(38)14-30(23)39/h7-8,13-15,25-26,28H,9-12,16-20H2,1-6H3/t25-,26+,28-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563881
PNG
(CHEMBL4793403)
Show SMILES C[C@H](NC(=O)c1cnc(nc1O)-n1cccn1)c1ccc(F)cc1 |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50168723
PNG
(1-[2-[((R)-1-Amino-indane-2-carbonyl)-amino]-3-(4-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C35H47ClN4O3/c1-34(2,3)39-33(43)35(25-10-5-4-6-11-25)17-19-40(20-18-35)32(42)29(21-23-13-15-26(36)16-14-23)38-31(41)28-22-24-9-7-8-12-27(24)30(28)37/h7-9,12-16,25,28-30H,4-6,10-11,17-22,37H2,1-3H3,(H,38,41)(H,39,43)/t28?,29-,30?/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells

Bioorg Med Chem Lett 15: 3430-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.012
BindingDB Entry DOI: 10.7270/Q2959H2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50329961
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES Cc1nnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-40-39-21(2)44-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor

Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563886
PNG
(CHEMBL4799940)
Show SMILES Oc1nc(ncc1C(=O)NC(c1ccccc1)c1ccccc1)-n1cccn1
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348584
PNG
(CHEMBL1801214)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C37H46ClF4N3O2/c1-22-15-25-28(17-30(22)38)36(18-29(25)35(5,6)33(47)44-14-11-37(41,42)21-44)9-12-43(13-10-36)32(46)27-20-45(34(2,3)4)19-26(27)24-8-7-23(39)16-31(24)40/h7-8,15-17,26-27,29H,9-14,18-21H2,1-6H3/t26-,27+,29-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563869
PNG
(CHEMBL4798217)
Show SMILES CC(C)(NC(=O)c1cnc(nc1O)-n1cc(cn1)C(O)=O)c1ccccc1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348585
PNG
(CHEMBL1801142)
Show SMILES CCN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C36H48ClF2N3O2/c1-9-40(8)33(44)35(6,7)29-19-36(28-18-30(37)22(2)16-25(28)29)12-14-41(15-13-36)32(43)27-21-42(34(3,4)5)20-26(27)24-11-10-23(38)17-31(24)39/h10-11,16-18,26-27,29H,9,12-15,19-21H2,1-8H3/t26-,27+,29-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348560
PNG
(CHEMBL1801118)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H46ClF2N3O2/c1-21-15-25-28(17-30(21)37)36(18-29(25)35(5,6)33(44)40-23-8-9-23)11-13-41(14-12-36)32(43)27-20-42(34(2,3)4)19-26(27)24-10-7-22(38)16-31(24)39/h7,10,15-17,23,26-27,29H,8-9,11-14,18-20H2,1-6H3,(H,40,44)/t26-,27+,29-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348582
PNG
(CHEMBL1801218)
Show SMILES CO[C@H]1CCN(C1)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-16-27-30(18-32(23)39)38(19-31(27)37(5,6)35(46)43-13-10-25(20-43)47-7)11-14-42(15-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-9-8-24(40)17-33(26)41/h8-9,16-18,25,28-29,31H,10-15,19-22H2,1-7H3/t25-,28-,29+,31-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348553
PNG
(CHEMBL1801093)
Show SMILES CN(C(C)=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C35H46ClF2N3O2/c1-21-15-25-28(17-30(21)36)35(18-29(25)34(6,7)39(8)22(2)42)11-13-40(14-12-35)32(43)27-20-41(33(3,4)5)19-26(27)24-10-9-23(37)16-31(24)38/h9-10,15-17,26-27,29H,11-14,18-20H2,1-8H3/t26-,27+,29-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348569
PNG
(CHEMBL1801127)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NC1CCOCC1 |r|
Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-17-27-30(19-32(23)39)38(20-31(27)37(5,6)35(46)42-25-9-15-47-16-10-25)11-13-43(14-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-8-7-24(40)18-33(26)41/h7-8,17-19,25,28-29,31H,9-16,20-22H2,1-6H3,(H,42,46)/t28-,29+,31-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563888
PNG
(CHEMBL4782037)
Show SMILES Oc1nc(ncc1C(=O)NC(c1ccccc1)c1ccccc1)-c1cccnn1
PDB
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348571
PNG
(CHEMBL1801143)
Show SMILES CCN(CC)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C37H50ClF2N3O2/c1-9-41(10-2)34(45)36(7,8)30-20-37(29-19-31(38)23(3)17-26(29)30)13-15-42(16-14-37)33(44)28-22-43(35(4,5)6)21-27(28)25-12-11-24(39)18-32(25)40/h11-12,17-19,27-28,30H,9-10,13-16,20-22H2,1-8H3/t27-,28+,30-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348565
PNG
(CHEMBL1801123)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NCCF |r|
Show InChI InChI=1S/C35H45ClF3N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(44)40-12-11-37)9-13-41(14-10-35)31(43)26-20-42(33(2,3)4)19-25(26)23-8-7-22(38)16-30(23)39/h7-8,15-17,25-26,28H,9-14,18-20H2,1-6H3,(H,40,44)/t25-,26+,28-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348568
PNG
(CHEMBL1801126)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NCCO |r|
Show InChI InChI=1S/C35H46ClF2N3O3/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(44)39-11-14-42)9-12-40(13-10-35)31(43)26-20-41(33(2,3)4)19-25(26)23-8-7-22(37)16-30(23)38/h7-8,15-17,25-26,28,42H,9-14,18-20H2,1-6H3,(H,39,44)/t25-,26+,28-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50348556
PNG
(CHEMBL1801097)
Show SMILES CNC(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-23-26(16-28(20)35)34(17-27(23)33(5,6)31(42)38-7)10-12-39(13-11-34)30(41)25-19-40(32(2,3)4)18-24(25)22-9-8-21(36)15-29(22)37/h8-9,14-16,24-25,27H,10-13,17-19H2,1-7H3,(H,38,42)/t24-,25+,27-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50563877
PNG
(CHEMBL4778991)
Show SMILES Oc1nc(ncc1C(=O)NCc1ccc(Cl)cc1)-n1cccn1
PDB
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TBA

Assay Description
Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b01242
BindingDB Entry DOI: 10.7270/Q2BR8WWR
More data for this
Ligand-Target Pair
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