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BDBM50182069 CHEMBL413931::N-{2-[2-(5-bromo-2-methoxy-phenyl)-ethyl]-3-chloro-benzoyl}-guanidine

SMILES: COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N

InChI Key: InChIKey=LSBTVOALOCKVLH-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50182069   
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))
BDBM50182069
PNG
(CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N
Show InChI InChI=1S/C17H17BrClN3O2/c1-24-15-8-6-11(18)9-10(15)5-7-12-13(3-2-4-14(12)19)16(23)22-17(20)21/h2-4,6,8-9H,5,7H2,1H3,(H4,20,21,22,23)
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50182069
PNG
(CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N
Show InChI InChI=1S/C17H17BrClN3O2/c1-24-15-8-6-11(18)9-10(15)5-7-12-13(3-2-4-14(12)19)16(23)22-17(20)21/h2-4,6,8-9H,5,7H2,1H3,(H4,20,21,22,23)
PDB
MMDB

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UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.15E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to hERG


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182069
PNG
(CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N
Show InChI InChI=1S/C17H17BrClN3O2/c1-24-15-8-6-11(18)9-10(15)5-7-12-13(3-2-4-14(12)19)16(23)22-17(20)21/h2-4,6,8-9H,5,7H2,1H3,(H4,20,21,22,23)
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.58E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity against MC4R by cAMP functional assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair