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BDBM50421289 CHEMBL2087666

SMILES: O=C(N1CCOCC1)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1

InChI Key: InChIKey=BMKALYOYIWENJD-QFIPXVFZSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50421289   
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
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421289
PNG
(CHEMBL2087666)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r|
Show InChI InChI=1S/C28H29N5O3/c34-28(33-12-15-35-16-13-33)21-10-8-20(9-11-21)25-23(19-5-2-1-3-6-19)24-26(30-18-31-27(24)32-25)29-17-22-7-4-14-36-22/h1-3,5-6,8-11,18,22H,4,7,12-17H2,(H2,29,30,31,32)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421289
PNG
(CHEMBL2087666)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r|
Show InChI InChI=1S/C28H29N5O3/c34-28(33-12-15-35-16-13-33)21-10-8-20(9-11-21)25-23(19-5-2-1-3-6-19)24-26(30-18-31-27(24)32-25)29-17-22-7-4-14-36-22/h1-3,5-6,8-11,18,22H,4,7,12-17H2,(H2,29,30,31,32)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair