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BDBM50402384 CHEMBL2207749

SMILES: CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1

InChI Key: InChIKey=MWUSGACKQRXZRZ-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 = 50402384   
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
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50402384
PNG
(CHEMBL2207749)
Show SMILES CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
Show InChI InChI=1S/C21H22N4O2S/c1-14(26)25-12-16-10-24(11-17(16)13-25)9-15-4-6-18(7-5-15)27-21-23-20-19(28-21)3-2-8-22-20/h2-8,16-17H,9-13H2,1H3
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PC cid
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402384
PNG
(CHEMBL2207749)
Show SMILES CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
Show InChI InChI=1S/C21H22N4O2S/c1-14(26)25-12-16-10-24(11-17(16)13-25)9-15-4-6-18(7-5-15)27-21-23-20-19(28-21)3-2-8-22-20/h2-8,16-17H,9-13H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402384
PNG
(CHEMBL2207749)
Show SMILES CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
Show InChI InChI=1S/C21H22N4O2S/c1-14(26)25-12-16-10-24(11-17(16)13-25)9-15-4-6-18(7-5-15)27-21-23-20-19(28-21)3-2-8-22-20/h2-8,16-17H,9-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair