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PDB code 3CQW

Compile Data Set for Download or QSAR

Similar Ligands in BindingDB*

Found 2 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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
AKT/p21CIP1

  (335/337 > 99%)
(Homo sapiens (human))
BDBM24845
PNG
(5-chloro-4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5...)
Show SMILES Clc1c[nH]c2ncnc(N3CCc4nc[nH]c4C3)c12
Show InChI InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
MMDB
Article
PubMed
n/an/a 42n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)

More data for this
Ligand-Target Pair
AKT/p21CIP1

  (335/337 > 99%)
(Homo sapiens (human))
BDBM24844
PNG
(5-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3H,4H,5H,6H,7H...)
Show SMILES C1Cc2nc[nH]c2CN1c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H12N6/c1-3-13-11-8(1)12(17-7-16-11)18-4-2-9-10(5-18)15-6-14-9/h1,3,6-7H,2,4-5H2,(H,14,15)(H,13,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 294n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output