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SMILES: Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CCCCC1)c1ccccn1

InChI Key: InChIKey=ITBSYYSBUXVODF-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 = 50257783   
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))
BDBM50257783
PNG
(CHEMBL493516 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H29N5O/c23-18-9-13-25-21(16-18)26-14-10-19(11-15-26)27(20-8-4-5-12-24-20)22(28)17-6-2-1-3-7-17/h4-5,8-9,12-13,16-17,19H,1-3,6-7,10-11,14-15H2,(H2,23,25)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
>1.00E+4n/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))
BDBM50257783
PNG
(CHEMBL493516 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H29N5O/c23-18-9-13-25-21(16-18)26-14-10-19(11-15-26)27(20-8-4-5-12-24-20)22(28)17-6-2-1-3-7-17/h4-5,8-9,12-13,16-17,19H,1-3,6-7,10-11,14-15H2,(H2,23,25)
PDB

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UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 30n/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