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BDBM50150829 4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide::CHEMBL363730

SMILES: CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1

InChI Key: InChIKey=QDDPPGFVMRPNTQ-UHFFFAOYSA-N

Data: 3 KI  1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50150829   
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 5 (MC5R)


(Homo sapiens (Human))
BDBM50150829
PNG
(4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboxi...)
Show SMILES CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:29.32|
Show InChI InChI=1S/C28H37Cl2N5O/c1-19-17-35(18-20(2)32-19)28(33-24-6-4-3-5-7-24)34-25-12-9-22(10-13-25)27(36)31-15-14-21-8-11-23(29)16-26(21)30/h8-13,16,19-20,24,32H,3-7,14-15,17-18H2,1-2H3,(H,31,36)(H,33,34)
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50150829
PNG
(4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboxi...)
Show SMILES CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:29.32|
Show InChI InChI=1S/C28H37Cl2N5O/c1-19-17-35(18-20(2)32-19)28(33-24-6-4-3-5-7-24)34-25-12-9-22(10-13-25)27(36)31-15-14-21-8-11-23(29)16-26(21)30/h8-13,16,19-20,24,32H,3-7,14-15,17-18H2,1-2H3,(H,31,36)(H,33,34)
KEGG

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590n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 4 receptor


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50150829
PNG
(4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboxi...)
Show SMILES CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:29.32|
Show InChI InChI=1S/C28H37Cl2N5O/c1-19-17-35(18-20(2)32-19)28(33-24-6-4-3-5-7-24)34-25-12-9-22(10-13-25)27(36)31-15-14-21-8-11-23(29)16-26(21)30/h8-13,16,19-20,24,32H,3-7,14-15,17-18H2,1-2H3,(H,31,36)(H,33,34)
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3.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 3 receptor


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150829
PNG
(4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboxi...)
Show SMILES CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:29.32|
Show InChI InChI=1S/C28H37Cl2N5O/c1-19-17-35(18-20(2)32-19)28(33-24-6-4-3-5-7-24)34-25-12-9-22(10-13-25)27(36)31-15-14-21-8-11-23(29)16-26(21)30/h8-13,16,19-20,24,32H,3-7,14-15,17-18H2,1-2H3,(H,31,36)(H,33,34)
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n/an/a 80n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50150829
PNG
(4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboxi...)
Show SMILES CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:29.32|
Show InChI InChI=1S/C28H37Cl2N5O/c1-19-17-35(18-20(2)32-19)28(33-24-6-4-3-5-7-24)34-25-12-9-22(10-13-25)27(36)31-15-14-21-8-11-23(29)16-26(21)30/h8-13,16,19-20,24,32H,3-7,14-15,17-18H2,1-2H3,(H,31,36)(H,33,34)
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 4.00E+3n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 4 receptor


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair