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SMILES: CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl

InChI Key: InChIKey=GLNBATBKCBLDAT-JIPXPUAJSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50226633   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50226633
PNG
(CHEMBL393584 | N-((1R)-[2-{4-[2R-methyl-3-(2,4-dic...)
Show SMILES CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H43Cl2N5O2/c1-20(2)17-27(34-28(38)11-12-35(5)6)25-10-7-22(4)33-29(25)36-13-15-37(16-14-36)30(39)21(3)18-23-8-9-24(31)19-26(23)32/h7-10,19-21,27H,11-18H2,1-6H3,(H,34,38)/t21-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PubMed
2.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50226633
PNG
(CHEMBL393584 | N-((1R)-[2-{4-[2R-methyl-3-(2,4-dic...)
Show SMILES CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H43Cl2N5O2/c1-20(2)17-27(34-28(38)11-12-35(5)6)25-10-7-22(4)33-29(25)36-13-15-37(16-14-36)30(39)21(3)18-23-8-9-24(31)19-26(23)32/h7-10,19-21,27H,11-18H2,1-6H3,(H,34,38)/t21-,27-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC5R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50226633
PNG
(CHEMBL393584 | N-((1R)-[2-{4-[2R-methyl-3-(2,4-dic...)
Show SMILES CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H43Cl2N5O2/c1-20(2)17-27(34-28(38)11-12-35(5)6)25-10-7-22(4)33-29(25)36-13-15-37(16-14-36)30(39)21(3)18-23-8-9-24(31)19-26(23)32/h7-10,19-21,27H,11-18H2,1-6H3,(H,34,38)/t21-,27-/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC3R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50226633
PNG
(CHEMBL393584 | N-((1R)-[2-{4-[2R-methyl-3-(2,4-dic...)
Show SMILES CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H43Cl2N5O2/c1-20(2)17-27(34-28(38)11-12-35(5)6)25-10-7-22(4)33-29(25)36-13-15-37(16-14-36)30(39)21(3)18-23-8-9-24(31)19-26(23)32/h7-10,19-21,27H,11-18H2,1-6H3,(H,34,38)/t21-,27-/m1/s1
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KEGG

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6.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC1R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50226633
PNG
(CHEMBL393584 | N-((1R)-[2-{4-[2R-methyl-3-(2,4-dic...)
Show SMILES CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H43Cl2N5O2/c1-20(2)17-27(34-28(38)11-12-35(5)6)25-10-7-22(4)33-29(25)36-13-15-37(16-14-36)30(39)21(3)18-23-8-9-24(31)19-26(23)32/h7-10,19-21,27H,11-18H2,1-6H3,(H,34,38)/t21-,27-/m1/s1
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KEGG

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n/an/a 49n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4R expressed in HEK293 cells assessed as inhibition of alpha-MSH-stimulated cAMP production


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair