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PDB code 3H9O

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)

  (311/311 = 100%)
(Homo sapiens (Human))
BDBM32422
PNG
(Benzo[c][2,7]naphthyridine, 9)
Show SMILES COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1ccnc1
Show InChI InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23)
PDB
MMDB

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

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 70n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 1 hit 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
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)

  (311/311 = 100%)
(Homo sapiens (Human))
BDBM32425
PNG
(Benzo[c][2,7]naphthyridine, 12)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1ccnc1
Show InChI InChI=1S/C17H15N5O2/c1-23-14-5-11-10-6-16(22-4-3-19-9-22)21-17(18)12(10)8-20-13(11)7-15(14)24-2/h3-9H,1-2H3,(H2,18,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 100n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)

Search BindingMOAD for More Affinity Data:

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