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SMILES: O=c1[nH]ccc2nc(-c3ccc(CN4CCN(CC4)c4ncccn4)cc3)c(cc12)-c1ccccc1

InChI Key: InChIKey=DKZDOUOGEDBDCS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 153707   
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
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S]


(Homo sapiens (Human))
BDBM153707
PNG
(3-Phenyl-2-(4-((4-(pyrimidin-2-yl)piperazin-1-yl)m...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCN(CC4)c4ncccn4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C29H26N6O/c36-28-25-19-24(22-5-2-1-3-6-22)27(33-26(25)11-14-30-28)23-9-7-21(8-10-23)20-34-15-17-35(18-16-34)29-31-12-4-13-32-29/h1-14,19H,15-18,20H2,(H,30,36)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.10E+3n/an/an/a7.4n/a



Technische Universität Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)


Article DOI: 10.1021/cb500355c
BindingDB Entry DOI: 10.7270/Q218358G
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S]


(Homo sapiens (Human))
BDBM153707
PNG
(3-Phenyl-2-(4-((4-(pyrimidin-2-yl)piperazin-1-yl)m...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCN(CC4)c4ncccn4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C29H26N6O/c36-28-25-19-24(22-5-2-1-3-6-22)27(33-26(25)11-14-30-28)23-9-7-21(8-10-23)20-34-15-17-35(18-16-34)29-31-12-4-13-32-29/h1-14,19H,15-18,20H2,(H,30,36)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)


Article DOI: 10.1021/cb500355c
BindingDB Entry DOI: 10.7270/Q218358G
More data for this
Ligand-Target Pair