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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'martins' and Initial = 'jc'   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 1n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 2n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 2.30n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 4.20n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 6.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/a 37n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 70n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 100n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/a 137n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 167n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 200n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
KEGG

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n/an/a 200n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
KEGG

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n/an/a 220n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 258n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 300n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
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n/an/a 447n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/a 594n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
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n/an/a 636n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
KEGG

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n/an/a 1.35E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/a>2.00E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/a 4.54E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
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n/an/an/an/a 52n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC3 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
KEGG

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n/an/an/an/a 1n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/an/an/a 750n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
KEGG

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n/an/an/an/a 0.300n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 13n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 0.300n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/an/an/a 227n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/an/an/a 203n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 2.10n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 700n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 226n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50258427
PNG
(CHEMBL522015 | uridine5'-methylene-phosphonate)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N2O8P/c13-6-1-3-12(10(16)11-6)9-8(15)7(14)5(20-9)2-4-21(17,18)19/h1,3,5,7-9,14-15H,2,4H2,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 5.10E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 4.11E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at human MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 5.70n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at human MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366145
PNG
(CHEMBL1957449)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1OCP([O-])([O-])=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N2O9P/c12-4-1-2-11(9(15)10-4)7-5(13)6(14)8(20-7)19-3-21(16,17)18/h1-2,5-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t5-,6+,7-,8+/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366146
PNG
(CHEMBL1957448)
Show SMILES O[C@@H]1[C@H](O)[C@]2(CCP([O-])([O-])=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H17N2O7P/c15-7-1-3-14(11(18)13-7)8-6-5-12(6,10(17)9(8)16)2-4-22(19,20)21/h1,3,6,8-10,16-17H,2,4-5H2,(H,13,15,18)(H2,19,20,21)/p-2/t6-,8-,9+,10+,12-/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366147
PNG
(CHEMBL1957447)
Show SMILES O[C@@H]1[C@@H](CCP([O-])([O-])=O)O[C@H]([C@@H]1Cl)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14ClN2O7P/c11-7-8(15)5(2-4-21(17,18)19)20-9(7)13-3-1-6(14)12-10(13)16/h1,3,5,7-9,15H,2,4H2,(H,12,14,16)(H2,17,18,19)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366148
PNG
(CHEMBL1957446)
Show SMILES N[C@@H]1[C@H](O)[C@@H](CCP([O-])([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N3O7P/c11-7-8(15)5(2-4-21(17,18)19)20-9(7)13-3-1-6(14)12-10(13)16/h1,3,5,7-9,15H,2,4,11H2,(H,12,14,16)(H2,17,18,19)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366149
PNG
(CHEMBL1957445)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2cc3ccccc3s2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H19N2O8PS/c21-14-11(5-6-29(25,26)27)28-17(15(14)22)20-8-10(16(23)19-18(20)24)13-7-9-3-1-2-4-12(9)30-13/h1-4,7-8,11,14-15,17,21-22H,5-6H2,(H,19,23,24)(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366150
PNG
(CHEMBL1957444)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2cccs2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H17N2O8PS/c17-10-8(3-4-25(21,22)23)24-13(11(10)18)16-6-7(9-2-1-5-26-9)12(19)15-14(16)20/h1-2,5-6,8,10-11,13,17-18H,3-4H2,(H,15,19,20)(H2,21,22,23)/t8-,10-,11-,13-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366151
PNG
(CHEMBL1957443)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2ccco2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H17N2O9P/c17-10-9(3-5-26(21,22)23)25-13(11(10)18)16-6-7(8-2-1-4-24-8)12(19)15-14(16)20/h1-2,4,6,9-11,13,17-18H,3,5H2,(H,15,19,20)(H2,21,22,23)/t9-,10-,11-,13-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366152
PNG
(CHEMBL1957442)
Show SMILES Cc1ccc(cc1)-c1cn([C@@H]2O[C@H](CCP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H21N2O8P/c1-9-2-4-10(5-3-9)11-8-19(17(23)18-15(11)22)16-14(21)13(20)12(27-16)6-7-28(24,25)26/h2-5,8,12-14,16,20-21H,6-7H2,1H3,(H,18,22,23)(H2,24,25,26)/t12-,13-,14-,16-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366153
PNG
(CHEMBL1957441)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(C=Cc2ccccc2)c(=O)[nH]c1=O |r,w:16.16|
Show InChI InChI=1S/C18H21N2O8P/c21-14-13(8-9-29(25,26)27)28-17(15(14)22)20-10-12(16(23)19-18(20)24)7-6-11-4-2-1-3-5-11/h1-7,10,13-15,17,21-22H,8-9H2,(H,19,23,24)(H2,25,26,27)/t13-,14-,15-,17-/m1/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366154
PNG
(CHEMBL1957440)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CCP(O)(O)=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H18FN2O8P/c17-9-3-1-8(2-4-9)10-7-19(16(23)18-14(10)22)15-13(21)12(20)11(27-15)5-6-28(24,25)26/h1-4,7,11-13,15,20-21H,5-6H2,(H,18,22,23)(H2,24,25,26)/t11-,12-,13-,15-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366155
PNG
(CHEMBL1957439)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2ccc3ccccc3c2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H21N2O8P/c23-16-15(7-8-31(27,28)29)30-19(17(16)24)22-10-14(18(25)21-20(22)26)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9-10,15-17,19,23-24H,7-8H2,(H,21,25,26)(H2,27,28,29)/t15-,16-,17-,19-/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
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