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BDBM50421282 CHEMBL2087658

SMILES: C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1

InChI Key: InChIKey=XXAHEYLYVXIYBY-DEOSSOPVSA-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 = 50421282   
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))
BDBM50421282
PNG
(CHEMBL2087658)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C29H33N5O2/c1-2-7-21(8-3-1)25-26-28(30-19-24-9-6-17-35-24)31-20-32-29(26)33-27(25)22-10-12-23(13-11-22)36-18-16-34-14-4-5-15-34/h1-3,7-8,10-13,20,24H,4-6,9,14-19H2,(H2,30,31,32,33)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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)

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


(Mus musculus)
BDBM50421282
PNG
(CHEMBL2087658)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C29H33N5O2/c1-2-7-21(8-3-1)25-26-28(30-19-24-9-6-17-35-24)31-20-32-29(26)33-27(25)22-10-12-23(13-11-22)36-18-16-34-14-4-5-15-34/h1-3,7-8,10-13,20,24H,4-6,9,14-19H2,(H2,30,31,32,33)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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