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BDBM50122776 1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one::AG-014361::CHEMBL65892::cid_9840076

SMILES: CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23

InChI Key: InChIKey=SEKJSSBJKFLZIT-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50122776   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122776
PNG
(1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50122776
PNG
(1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 2.75E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair