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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50139027'   
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))
BDBM50139027
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H42ClN5O2/c1-3-38(4-2)24-28-11-7-8-12-32(28)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-26-9-5-6-10-27(26)23-36-30/h5-16,30-31,36H,3-4,17-24H2,1-2H3,(H,37,41)/t30-,31-/m1/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139027
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H42ClN5O2/c1-3-38(4-2)24-28-11-7-8-12-32(28)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-26-9-5-6-10-27(26)23-36-30/h5-16,30-31,36H,3-4,17-24H2,1-2H3,(H,37,41)/t30-,31-/m1/s1
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34n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic potency towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139027
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H42ClN5O2/c1-3-38(4-2)24-28-11-7-8-12-32(28)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-26-9-5-6-10-27(26)23-36-30/h5-16,30-31,36H,3-4,17-24H2,1-2H3,(H,37,41)/t30-,31-/m1/s1
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52n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor


Bioorg Med Chem Lett 14: 4417-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.059
BindingDB Entry DOI: 10.7270/Q2251HPH
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139027
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H42ClN5O2/c1-3-38(4-2)24-28-11-7-8-12-32(28)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-26-9-5-6-10-27(26)23-36-30/h5-16,30-31,36H,3-4,17-24H2,1-2H3,(H,37,41)/t30-,31-/m1/s1
PDB

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PubMed
n/an/an/an/a 14n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic potency of the compound towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139027
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H42ClN5O2/c1-3-38(4-2)24-28-11-7-8-12-32(28)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-26-9-5-6-10-27(26)23-36-30/h5-16,30-31,36H,3-4,17-24H2,1-2H3,(H,37,41)/t30-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 240n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor


Bioorg Med Chem Lett 14: 4417-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.059
BindingDB Entry DOI: 10.7270/Q2251HPH
More data for this
Ligand-Target Pair