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BDBM19087 15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(10),2(7),3,5,8,11,13,15,17-nonaene-5,9-diamine::Dibenzo[c,f][2,7]naphthyridine, 1

SMILES: COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC

InChI Key: InChIKey=NVINUNQBDNEMSY-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 19087   
Target
(Institution)
LigandTarget
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19087
PNG
(15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8....)
Show SMILES COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC
Show InChI InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 60n/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 different...


J Med Chem 50: 5547-9 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19087
PNG
(15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8....)
Show SMILES COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC
Show InChI InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin)


J Med Chem 56: 2726-37 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19087
PNG
(15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8....)
Show SMILES COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC
Show InChI InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged-PDK1 expressed in HEK293 cells


Eur J Med Chem 45: 1379-86 (2010)

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