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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50245905'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Activated CDC42 kinase 1


(Homo sapiens (Human))
BDBM50245905
PNG
(CHEMBL459220 | N3-mesityl-1-(3-methoxy-3-methylbut...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C31H42N8O/c1-21-18-22(2)27(23(3)19-21)34-28-26-20-32-30(35-29(26)39(36-28)13-12-31(4,5)40-7)33-24-8-10-25(11-9-24)38-16-14-37(6)15-17-38/h8-11,18-20H,12-17H2,1-7H3,(H,34,36)(H,32,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells


Bioorg Med Chem Lett 18: 6352-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))
BDBM50245905
PNG
(CHEMBL459220 | N3-mesityl-1-(3-methoxy-3-methylbut...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C31H42N8O/c1-21-18-22(2)27(23(3)19-21)34-28-26-20-32-30(35-29(26)39(36-28)13-12-31(4,5)40-7)33-24-8-10-25(11-9-24)38-16-14-37(6)15-17-38/h8-11,18-20H,12-17H2,1-7H3,(H,34,36)(H,32,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells


Bioorg Med Chem Lett 18: 6352-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ
More data for this
Ligand-Target Pair