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BDBM50032720 CHEMBL3354696

SMILES: NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1

InChI Key: InChIKey=IDHCWOUPGCDUGN-SANMLTNESA-N

Data: 1 KI  2 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 = 50032720   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50032720
PNG
(CHEMBL3354696)
Show SMILES NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1
Show InChI InChI=1S/C26H26N4O3/c27-25-30-26(15-32-25)21-10-18(19-12-28-16-29-13-19)6-8-23(21)33-24-9-7-20(11-22(24)26)31-14-17-4-2-1-3-5-17/h6-13,16-17H,1-5,14-15H2,(H2,27,30)/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032720
PNG
(CHEMBL3354696)
Show SMILES NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1
Show InChI InChI=1S/C26H26N4O3/c27-25-30-26(15-32-25)21-10-18(19-12-28-16-29-13-19)6-8-23(21)33-24-9-7-20(11-22(24)26)31-14-17-4-2-1-3-5-17/h6-13,16-17H,1-5,14-15H2,(H2,27,30)/t26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 269n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032720
PNG
(CHEMBL3354696)
Show SMILES NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1
Show InChI InChI=1S/C26H26N4O3/c27-25-30-26(15-32-25)21-10-18(19-12-28-16-29-13-19)6-8-23(21)33-24-9-7-20(11-22(24)26)31-14-17-4-2-1-3-5-17/h6-13,16-17H,1-5,14-15H2,(H2,27,30)/t26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair