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BDBM50421260 CHEMBL2087878

SMILES: CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCCS3)c2c1-c1ccccc1

InChI Key: InChIKey=ZUJAJGNSLCYVFZ-QHCPKHFHSA-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 = 50421260   
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))
BDBM50421260
PNG
(CHEMBL2087878)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C28H32N4O2S/c1-32(2)15-16-33-22-13-11-21(12-14-22)26-24(20-8-4-3-5-9-20)25-27(30-19-31-28(25)34-26)29-18-23-10-6-7-17-35-23/h3-5,8-9,11-14,19,23H,6-7,10,15-18H2,1-2H3,(H,29,30,31)/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
69n/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)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421260
PNG
(CHEMBL2087878)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C28H32N4O2S/c1-32(2)15-16-33-22-13-11-21(12-14-22)26-24(20-8-4-3-5-9-20)25-27(30-19-31-28(25)34-26)29-18-23-10-6-7-17-35-23/h3-5,8-9,11-14,19,23H,6-7,10,15-18H2,1-2H3,(H,29,30,31)/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.16E+3n/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)

More data for this
Ligand-Target Pair