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BDBM50425101 CHEMBL2313226

SMILES: O=P(N(Cc1ccccn1)c1cccnc1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=OGXXKPFHNVXBOY-UHFFFAOYSA-N

Data: 3 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 = 50425101   
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))
BDBM50425101
PNG
(CHEMBL2313226)
Show SMILES O=P(N(Cc1ccccn1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N3OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(21-11-9-16-24-18-21)19-20-10-7-8-17-25-20/h1-18H,19H2
PDB
MMDB

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PC cid
PC sid
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425101
PNG
(CHEMBL2313226)
Show SMILES O=P(N(Cc1ccccn1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N3OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(21-11-9-16-24-18-21)19-20-10-7-8-17-25-20/h1-18H,19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50425101
PNG
(CHEMBL2313226)
Show SMILES O=P(N(Cc1ccccn1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N3OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(21-11-9-16-24-18-21)19-20-10-7-8-17-25-20/h1-18H,19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IK channel (unknown origin)


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair