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SMILES: COC1CN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccc(OC)cc3)cc2)C1

InChI Key: InChIKey=JHHMLOGRXQPDON-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 2 hits for monomerid = 50159143   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50159143
PNG
(CHEMBL3786350)
Show SMILES COC1CN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccc(OC)cc3)cc2)C1
Show InChI InChI=1S/C24H26N4O5/c1-30-18-9-5-17(6-10-18)22-25-26-23(33-22)24(29)28-14-21(15-28)32-19-7-3-16(4-8-19)11-27-12-20(13-27)31-2/h3-10,20-21H,11-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.50E+3n/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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50159143
PNG
(CHEMBL3786350)
Show SMILES COC1CN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccc(OC)cc3)cc2)C1
Show InChI InChI=1S/C24H26N4O5/c1-30-18-9-5-17(6-10-18)22-25-26-23(33-22)24(29)28-14-21(15-28)32-19-7-3-16(4-8-19)11-27-12-20(13-27)31-2/h3-10,20-21H,11-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/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