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Compile Data Set for Download or QSAR

Found 531 hits with Last Name = 'camara' and Initial = 'j'   
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))
BDBM50215802
PNG
(CHEMBL233559 | methyl 4-(6-(diisopentylcarbamoyl)-...)
Show SMILES COC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H49N5O3/c1-25(2)16-22-38(23-17-26(3)4)32(40)28-12-15-30-31(24-28)39(21-9-20-37-18-7-6-8-19-37)34(36-30)35-29-13-10-27(11-14-29)33(41)42-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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0.890n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215802
PNG
(CHEMBL233559 | methyl 4-(6-(diisopentylcarbamoyl)-...)
Show SMILES COC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H49N5O3/c1-25(2)16-22-38(23-17-26(3)4)32(40)28-12-15-30-31(24-28)39(21-9-20-37-18-7-6-8-19-37)34(36-30)35-29-13-10-27(11-14-29)33(41)42-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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0.890n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215807
PNG
(CHEMBL392092 | N,N-diisopentyl-2-(4-methoxybenzoyl...)
Show SMILES COc1ccc(cc1)C(=O)c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C34H48N4O3/c1-25(2)16-22-37(23-17-26(3)4)34(40)28-12-15-30-31(24-28)38(21-9-20-36-18-7-6-8-19-36)33(35-30)32(39)27-10-13-29(41-5)14-11-27/h10-15,24-26H,6-9,16-23H2,1-5H3
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0.950n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215807
PNG
(CHEMBL392092 | N,N-diisopentyl-2-(4-methoxybenzoyl...)
Show SMILES COc1ccc(cc1)C(=O)c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C34H48N4O3/c1-25(2)16-22-37(23-17-26(3)4)34(40)28-12-15-30-31(24-28)38(21-9-20-36-18-7-6-8-19-36)33(35-30)32(39)27-10-13-29(41-5)14-11-27/h10-15,24-26H,6-9,16-23H2,1-5H3
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0.950n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215841
PNG
(2-(4-benzoylphenylamino)-N,N-diisopentyl-3-(3-(pip...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(=O)c3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C39H51N5O2/c1-29(2)20-26-43(27-21-30(3)4)38(46)33-16-19-35-36(28-33)44(25-11-24-42-22-9-6-10-23-42)39(41-35)40-34-17-14-32(15-18-34)37(45)31-12-7-5-8-13-31/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,40,41)
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1.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215841
PNG
(2-(4-benzoylphenylamino)-N,N-diisopentyl-3-(3-(pip...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(=O)c3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C39H51N5O2/c1-29(2)20-26-43(27-21-30(3)4)38(46)33-16-19-35-36(28-33)44(25-11-24-42-22-9-6-10-23-42)39(41-35)40-34-17-14-32(15-18-34)37(45)31-12-7-5-8-13-31/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,40,41)
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1.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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1.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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1.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215844
PNG
(CHEMBL232161 | N,N-diisopentyl-2-(4-phenoxyphenyla...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C38H51N5O2/c1-29(2)20-26-42(27-21-30(3)4)37(44)31-14-19-35-36(28-31)43(25-11-24-41-22-9-6-10-23-41)38(40-35)39-32-15-17-34(18-16-32)45-33-12-7-5-8-13-33/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,39,40)
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2n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215844
PNG
(CHEMBL232161 | N,N-diisopentyl-2-(4-phenoxyphenyla...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C38H51N5O2/c1-29(2)20-26-42(27-21-30(3)4)37(44)31-14-19-35-36(28-31)43(25-11-24-41-22-9-6-10-23-41)38(40-35)39-32-15-17-34(18-16-32)45-33-12-7-5-8-13-33/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,39,40)
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2n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215813
PNG
(CHEMBL395226 | N,N-diisopentyl-2-(4-nitrophenylami...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)[N+]([O-])=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46N6O3/c1-24(2)15-21-36(22-16-25(3)4)31(39)26-9-14-29-30(23-26)37(20-8-19-35-17-6-5-7-18-35)32(34-29)33-27-10-12-28(13-11-27)38(40)41/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,33,34)
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2.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215813
PNG
(CHEMBL395226 | N,N-diisopentyl-2-(4-nitrophenylami...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)[N+]([O-])=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46N6O3/c1-24(2)15-21-36(22-16-25(3)4)31(39)26-9-14-29-30(23-26)37(20-8-19-35-17-6-5-7-18-35)32(34-29)33-27-10-12-28(13-11-27)38(40)41/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,33,34)
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2.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215836
PNG
(CHEMBL233757 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CCC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C35H51N5O2/c1-6-33(41)28-11-14-30(15-12-28)36-35-37-31-16-13-29(34(42)39(23-17-26(2)3)24-18-27(4)5)25-32(31)40(35)22-10-21-38-19-8-7-9-20-38/h11-16,25-27H,6-10,17-24H2,1-5H3,(H,36,37)
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2.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215836
PNG
(CHEMBL233757 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CCC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C35H51N5O2/c1-6-33(41)28-11-14-30(15-12-28)36-35-37-31-16-13-29(34(42)39(23-17-26(2)3)24-18-27(4)5)25-32(31)40(35)22-10-21-38-19-8-7-9-20-38/h11-16,25-27H,6-10,17-24H2,1-5H3,(H,36,37)
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2.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215820
PNG
(2-(benzo[b]thiophen-2-yl)-N,N-diisopentyl-3-(3-(pi...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H46N4OS/c1-25(2)15-21-37(22-16-26(3)4)34(39)28-13-14-29-30(23-28)38(20-10-19-36-17-8-5-9-18-36)33(35-29)32-24-27-11-6-7-12-31(27)40-32/h6-7,11-14,23-26H,5,8-10,15-22H2,1-4H3
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3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215820
PNG
(2-(benzo[b]thiophen-2-yl)-N,N-diisopentyl-3-(3-(pi...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H46N4OS/c1-25(2)15-21-37(22-16-26(3)4)34(39)28-13-14-29-30(23-28)38(20-10-19-36-17-8-5-9-18-36)33(35-29)32-24-27-11-6-7-12-31(27)40-32/h6-7,11-14,23-26H,5,8-10,15-22H2,1-4H3
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3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215801
PNG
(CHEMBL391664 | N,N-diisopentyl-2-(1-methyl-1H-indo...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cn(C)c4ccccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H49N5O/c1-26(2)16-22-39(23-17-27(3)4)35(41)28-14-15-31-33(24-28)40(21-11-20-38-18-9-6-10-19-38)34(36-31)30-25-37(5)32-13-8-7-12-29(30)32/h7-8,12-15,24-27H,6,9-11,16-23H2,1-5H3
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3.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215801
PNG
(CHEMBL391664 | N,N-diisopentyl-2-(1-methyl-1H-indo...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cn(C)c4ccccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H49N5O/c1-26(2)16-22-39(23-17-27(3)4)35(41)28-14-15-31-33(24-28)40(21-11-20-38-18-9-6-10-19-38)34(36-31)30-25-37(5)32-13-8-7-12-29(30)32/h7-8,12-15,24-27H,6,9-11,16-23H2,1-5H3
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3.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215828
PNG
(CHEMBL233758 | N,N-diisopentyl-2-(4-(methylcarbamo...)
Show SMILES CNC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-12-15-30-31(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-30)36-29-13-10-27(11-14-29)32(41)35-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.30n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215828
PNG
(CHEMBL233758 | N,N-diisopentyl-2-(4-(methylcarbamo...)
Show SMILES CNC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-12-15-30-31(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-30)36-29-13-10-27(11-14-29)32(41)35-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.30n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215812
PNG
(2-(4-acetamidophenylamino)-N,N-diisopentyl-3-(3-(p...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(NC(C)=O)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-10-15-31-32(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-31)36-30-13-11-29(12-14-30)35-27(5)41/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215812
PNG
(2-(4-acetamidophenylamino)-N,N-diisopentyl-3-(3-(p...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(NC(C)=O)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-10-15-31-32(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-31)36-30-13-11-29(12-14-30)35-27(5)41/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215800
PNG
(2-(4-acetylbenzyl)-N,N-diisopentyl-3-(3-(piperidin...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Cc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H50N4O2/c1-26(2)16-22-38(23-17-27(3)4)35(41)31-14-15-32-33(25-31)39(21-9-20-37-18-7-6-8-19-37)34(36-32)24-29-10-12-30(13-11-29)28(5)40/h10-15,25-27H,6-9,16-24H2,1-5H3
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3.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215800
PNG
(2-(4-acetylbenzyl)-N,N-diisopentyl-3-(3-(piperidin...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Cc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H50N4O2/c1-26(2)16-22-38(23-17-27(3)4)35(41)31-14-15-32-33(25-31)39(21-9-20-37-18-7-6-8-19-37)34(36-32)24-29-10-12-30(13-11-29)28(5)40/h10-15,25-27H,6-9,16-24H2,1-5H3
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3.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116370
PNG
(1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
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4n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor


J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116384
PNG
(1-Benzyl-3-cyclopropylmethyl-1H-1,3,4b,9-tetraaza-...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1
Show InChI InChI=1S/C20H18N4O2/c25-19-17-18(21-16-8-4-5-11-22(16)17)23(12-14-6-2-1-3-7-14)20(26)24(19)13-15-9-10-15/h1-8,11,15H,9-10,12-13H2
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4.20n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor


J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215823
PNG
(CHEMBL232584 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C31H46N6O/c1-24(2)13-20-36(21-14-25(3)4)30(38)26-11-12-28-29(22-26)37(19-9-18-35-16-6-5-7-17-35)31(34-28)33-27-10-8-15-32-23-27/h8,10-12,15,22-25H,5-7,9,13-14,16-21H2,1-4H3,(H,33,34)
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4.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215823
PNG
(CHEMBL232584 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C31H46N6O/c1-24(2)13-20-36(21-14-25(3)4)30(38)26-11-12-28-29(22-26)37(19-9-18-35-16-6-5-7-17-35)31(34-28)33-27-10-8-15-32-23-27/h8,10-12,15,22-25H,5-7,9,13-14,16-21H2,1-4H3,(H,33,34)
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4.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215846
PNG
(2-(3-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccc(c3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)15-21-38(22-16-26(3)4)33(41)29-13-14-31-32(24-29)39(20-10-19-37-17-7-6-8-18-37)34(36-31)35-30-12-9-11-28(23-30)27(5)40/h9,11-14,23-26H,6-8,10,15-22H2,1-5H3,(H,35,36)
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4.5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215846
PNG
(2-(3-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccc(c3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)15-21-38(22-16-26(3)4)33(41)29-13-14-31-32(24-29)39(20-10-19-37-17-7-6-8-18-37)34(36-31)35-30-12-9-11-28(23-30)27(5)40/h9,11-14,23-26H,6-8,10,15-22H2,1-5H3,(H,35,36)
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4.5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215805
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pyrr...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCC3)c2c1
Show InChI InChI=1S/C33H47N5O2/c1-24(2)15-21-37(22-16-25(3)4)32(40)28-11-14-30-31(23-28)38(20-8-19-36-17-6-7-18-36)33(35-30)34-29-12-9-27(10-13-29)26(5)39/h9-14,23-25H,6-8,15-22H2,1-5H3,(H,34,35)
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4.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215805
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pyrr...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCC3)c2c1
Show InChI InChI=1S/C33H47N5O2/c1-24(2)15-21-37(22-16-25(3)4)32(40)28-11-14-30-31(23-28)38(20-8-19-36-17-6-7-18-36)33(35-30)34-29-12-9-27(10-13-29)26(5)39/h9-14,23-25H,6-8,15-22H2,1-5H3,(H,34,35)
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4.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215815
PNG
(CHEMBL429943 | N,N-diisopentyl-2-(4-methoxyphenyla...)
Show SMILES COc1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C33H49N5O2/c1-25(2)16-22-37(23-17-26(3)4)32(39)27-10-15-30-31(24-27)38(21-9-20-36-18-7-6-8-19-36)33(35-30)34-28-11-13-29(40-5)14-12-28/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,34,35)
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5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116371
PNG
(3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...)
Show SMILES C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2
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5n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor


J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215815
PNG
(CHEMBL429943 | N,N-diisopentyl-2-(4-methoxyphenyla...)
Show SMILES COc1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C33H49N5O2/c1-25(2)16-22-37(23-17-26(3)4)32(39)27-10-15-30-31(24-27)38(21-9-20-36-18-7-6-8-19-36)33(35-30)34-28-11-13-29(40-5)14-12-28/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,34,35)
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5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215839
PNG
(2-(biphenyl-4-ylamino)-3-(3-piperidin-1-yl-propyl)...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)-c3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C38H51N5O/c1-29(2)20-26-42(27-21-30(3)4)37(44)33-16-19-35-36(28-33)43(25-11-24-41-22-9-6-10-23-41)38(40-35)39-34-17-14-32(15-18-34)31-12-7-5-8-13-31/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,39,40)
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5.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215839
PNG
(2-(biphenyl-4-ylamino)-3-(3-piperidin-1-yl-propyl)...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)-c3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C38H51N5O/c1-29(2)20-26-42(27-21-30(3)4)37(44)33-16-19-35-36(28-33)43(25-11-24-41-22-9-6-10-23-41)38(40-35)39-34-17-14-32(15-18-34)31-12-7-5-8-13-31/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,39,40)
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5.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215831
PNG
(2-(4-acetylbenzylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H51N5O2/c1-26(2)16-22-39(23-17-27(3)4)34(42)31-14-15-32-33(24-31)40(21-9-20-38-18-7-6-8-19-38)35(37-32)36-25-29-10-12-30(13-11-29)28(5)41/h10-15,24,26-27H,6-9,16-23,25H2,1-5H3,(H,36,37)
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5.80n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215831
PNG
(2-(4-acetylbenzylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H51N5O2/c1-26(2)16-22-39(23-17-27(3)4)34(42)31-14-15-32-33(24-31)40(21-9-20-38-18-7-6-8-19-38)35(37-32)36-25-29-10-12-30(13-11-29)28(5)41/h10-15,24,26-27H,6-9,16-23,25H2,1-5H3,(H,36,37)
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5.80n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116382
PNG
(1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-...)
Show SMILES CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C20H20N4O2/c1-14(2)12-24-19(25)17-18(21-16-10-6-7-11-22(16)17)23(20(24)26)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor


J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215835
PNG
(2-(4-carbamoylphenylamino)-N,N-diisopentyl-3-(3-(p...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(N)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C33H48N6O2/c1-24(2)15-21-38(22-16-25(3)4)32(41)27-11-14-29-30(23-27)39(20-8-19-37-17-6-5-7-18-37)33(36-29)35-28-12-9-26(10-13-28)31(34)40/h9-14,23-25H,5-8,15-22H2,1-4H3,(H2,34,40)(H,35,36)
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6.5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215835
PNG
(2-(4-carbamoylphenylamino)-N,N-diisopentyl-3-(3-(p...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(N)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C33H48N6O2/c1-24(2)15-21-38(22-16-25(3)4)32(41)27-11-14-29-30(23-27)39(20-8-19-37-17-6-5-7-18-37)33(36-29)35-28-12-9-26(10-13-28)31(34)40/h9-14,23-25H,5-8,15-22H2,1-4H3,(H2,34,40)(H,35,36)
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6.5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215804
PNG
(2-(1H-indol-3-yl)-N,N-diisopentyl-3-(3-(piperidin-...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3c[nH]c4ccccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H47N5O/c1-25(2)15-21-38(22-16-26(3)4)34(40)27-13-14-31-32(23-27)39(20-10-19-37-17-8-5-9-18-37)33(36-31)29-24-35-30-12-7-6-11-28(29)30/h6-7,11-14,23-26,35H,5,8-10,15-22H2,1-4H3
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7.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215804
PNG
(2-(1H-indol-3-yl)-N,N-diisopentyl-3-(3-(piperidin-...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3c[nH]c4ccccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H47N5O/c1-25(2)15-21-38(22-16-26(3)4)34(40)27-13-14-31-32(23-27)39(20-10-19-37-17-8-5-9-18-37)33(36-31)29-24-35-30-12-7-6-11-28(29)30/h6-7,11-14,23-26,35H,5,8-10,15-22H2,1-4H3
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7.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215845
PNG
(CHEMBL430165 | N,N-diisopentyl-2-(phenylamino)-3-(...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H47N5O/c1-25(2)16-22-36(23-17-26(3)4)31(38)27-14-15-29-30(24-27)37(21-11-20-35-18-9-6-10-19-35)32(34-29)33-28-12-7-5-8-13-28/h5,7-8,12-15,24-26H,6,9-11,16-23H2,1-4H3,(H,33,34)
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7.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215845
PNG
(CHEMBL430165 | N,N-diisopentyl-2-(phenylamino)-3-(...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H47N5O/c1-25(2)16-22-36(23-17-26(3)4)31(38)27-14-15-29-30(24-27)37(21-11-20-35-18-9-6-10-19-35)32(34-29)33-28-12-7-5-8-13-28/h5,7-8,12-15,24-26H,6,9-11,16-23H2,1-4H3,(H,33,34)
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7.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215829
PNG
(2-(4-bromophenylamino)-N,N-diisopentyl-3-(3-(piper...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Br)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46BrN5O/c1-24(2)15-21-37(22-16-25(3)4)31(39)26-9-14-29-30(23-26)38(20-8-19-36-17-6-5-7-18-36)32(35-29)34-28-12-10-27(33)11-13-28/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,34,35)
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7.60n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215829
PNG
(2-(4-bromophenylamino)-N,N-diisopentyl-3-(3-(piper...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Br)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46BrN5O/c1-24(2)15-21-37(22-16-25(3)4)31(39)26-9-14-29-30(23-26)38(20-8-19-36-17-6-5-7-18-36)32(35-29)34-28-12-10-27(33)11-13-28/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,34,35)
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7.60n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215833
PNG
(2-(4-acetylphenylamino)-3-(3-(diethylamino)propyl)...)
Show SMILES CCN(CC)CCCn1c(Nc2ccc(cc2)C(C)=O)nc2ccc(cc12)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C33H49N5O2/c1-8-36(9-2)19-10-20-38-31-23-28(32(40)37(21-17-24(3)4)22-18-25(5)6)13-16-30(31)35-33(38)34-29-14-11-27(12-15-29)26(7)39/h11-16,23-25H,8-10,17-22H2,1-7H3,(H,34,35)
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7.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215833
PNG
(2-(4-acetylphenylamino)-3-(3-(diethylamino)propyl)...)
Show SMILES CCN(CC)CCCn1c(Nc2ccc(cc2)C(C)=O)nc2ccc(cc12)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C33H49N5O2/c1-8-36(9-2)19-10-20-38-31-23-28(32(40)37(21-17-24(3)4)22-18-25(5)6)13-16-30(31)35-33(38)34-29-14-11-27(12-15-29)26(7)39/h11-16,23-25H,8-10,17-22H2,1-7H3,(H,34,35)
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7.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
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