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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 = 'BDBM98370'   
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))
BDBM98370
PNG
(US8481733, 182)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)C1CCC1
Show InChI InChI=1S/C22H19FN4O/c23-16-5-2-6-18(13-16)28-17-9-7-14(8-10-17)19-20-21(24)25-11-12-27(20)22(26-19)15-3-1-4-15/h2,5-13,15H,1,3-4H2,(H2,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 109n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))
BDBM98370
PNG
(US8481733, 182)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)C1CCC1
Show InChI InChI=1S/C22H19FN4O/c23-16-5-2-6-18(13-16)28-17-9-7-14(8-10-17)19-20-21(24)25-11-12-27(20)22(26-19)15-3-1-4-15/h2,5-13,15H,1,3-4H2,(H2,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 23: 979-84 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT
More data for this
Ligand-Target Pair