BindingDB logo
myBDB logout

null

SMILES: CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1

InChI Key: InChIKey=ZJUPVLQHLOIMEV-UHFFFAOYSA-N

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 = 50159145   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50159145
PNG
(CHEMBL3786685)
Show SMILES CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H26N4O4/c1-24(30)11-12-27(16-24)13-17-7-9-19(10-8-17)31-20-14-28(15-20)23(29)22-26-25-21(32-22)18-5-3-2-4-6-18/h2-10,20,30H,11-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 22n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins...


J Med Chem 59: 2497-511 (2016)


BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50159145
PNG
(CHEMBL3786685)
Show SMILES CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H26N4O4/c1-24(30)11-12-27(16-24)13-17-7-9-19(10-8-17)31-20-14-28(15-20)23(29)22-26-25-21(32-22)18-5-3-2-4-6-18/h2-10,20,30H,11-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis


J Med Chem 59: 2497-511 (2016)


BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50159145
PNG
(CHEMBL3786685)
Show SMILES CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H26N4O4/c1-24(30)11-12-27(16-24)13-17-7-9-19(10-8-17)31-20-14-28(15-20)23(29)22-26-25-21(32-22)18-5-3-2-4-6-18/h2-10,20,30H,11-16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWork assay


J Med Chem 59: 2497-511 (2016)


BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair