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SMILES: COc1ccc(C(=O)NC2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)c(OC)c1

InChI Key: InChIKey=RRNKSCCNNRENEU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50257684   
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))
BDBM50257684
PNG
(CHEMBL495346 | N-(1-(4-aminopyridin-2-yl)-4-phenyl...)
Show SMILES COc1ccc(C(=O)NC2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C25H28N4O3/c1-31-20-8-9-21(22(17-20)32-2)24(30)28-25(18-6-4-3-5-7-18)11-14-29(15-12-25)23-16-19(26)10-13-27-23/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,30)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50257684
PNG
(CHEMBL495346 | N-(1-(4-aminopyridin-2-yl)-4-phenyl...)
Show SMILES COc1ccc(C(=O)NC2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C25H28N4O3/c1-31-20-8-9-21(22(17-20)32-2)24(30)28-25(18-6-4-3-5-7-18)11-14-29(15-12-25)23-16-19(26)10-13-27-23/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production by ALPHAscreen assay


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair