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BDBM50150833 4-[((S)-N-Cyclohexyl-3-methyl-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide::CHEMBL185455

SMILES: C[C@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1

InChI Key: InChIKey=PBZOSRKDAHPMMH-IBGZPJMESA-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 = 50150833   
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))
BDBM50150833
PNG
(4-[((S)-N-Cyclohexyl-3-methyl-piperazine-1-carboxi...)
Show SMILES C[C@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C27H35Cl2N5O/c1-19-18-34(16-15-30-19)27(32-23-5-3-2-4-6-23)33-24-11-8-21(9-12-24)26(35)31-14-13-20-7-10-22(28)17-25(20)29/h7-12,17,19,23,30H,2-6,13-16,18H2,1H3,(H,31,35)(H,32,33)/t19-/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
21n/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))
BDBM50150833
PNG
(4-[((S)-N-Cyclohexyl-3-methyl-piperazine-1-carboxi...)
Show SMILES C[C@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C27H35Cl2N5O/c1-19-18-34(16-15-30-19)27(32-23-5-3-2-4-6-23)33-24-11-8-21(9-12-24)26(35)31-14-13-20-7-10-22(28)17-25(20)29/h7-12,17,19,23,30H,2-6,13-16,18H2,1H3,(H,31,35)(H,32,33)/t19-/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
580n/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 (MC3R)


(Homo sapiens (Human))
BDBM50150833
PNG
(4-[((S)-N-Cyclohexyl-3-methyl-piperazine-1-carboxi...)
Show SMILES C[C@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C27H35Cl2N5O/c1-19-18-34(16-15-30-19)27(32-23-5-3-2-4-6-23)33-24-11-8-21(9-12-24)26(35)31-14-13-20-7-10-22(28)17-25(20)29/h7-12,17,19,23,30H,2-6,13-16,18H2,1H3,(H,31,35)(H,32,33)/t19-/m0/s1
UniProtKB/SwissProt

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PubMed
2.80E+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 4


(Homo sapiens (Human))
BDBM50150833
PNG
(4-[((S)-N-Cyclohexyl-3-methyl-piperazine-1-carboxi...)
Show SMILES C[C@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C27H35Cl2N5O/c1-19-18-34(16-15-30-19)27(32-23-5-3-2-4-6-23)33-24-11-8-21(9-12-24)26(35)31-14-13-20-7-10-22(28)17-25(20)29/h7-12,17,19,23,30H,2-6,13-16,18H2,1H3,(H,31,35)(H,32,33)/t19-/m0/s1
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 1.80E+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
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150833
PNG
(4-[((S)-N-Cyclohexyl-3-methyl-piperazine-1-carboxi...)
Show SMILES C[C@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C27H35Cl2N5O/c1-19-18-34(16-15-30-19)27(32-23-5-3-2-4-6-23)33-24-11-8-21(9-12-24)26(35)31-14-13-20-7-10-22(28)17-25(20)29/h7-12,17,19,23,30H,2-6,13-16,18H2,1H3,(H,31,35)(H,32,33)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/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