new BindingDB logo
myBDB logout

BDBM50150836 4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide::CHEMBL186339

SMILES: Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1

InChI Key: InChIKey=PDXOBKQWULUDRV-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 = 50150836   
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))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
26n/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))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.50E+3n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 1 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))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.50E+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))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/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