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BDBM50043643 CHEMBL3355528

SMILES: CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1

InChI Key: InChIKey=PFAIKAPJSZVPTC-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 = 50043643   
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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50043643
PNG
(CHEMBL3355528)
Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1
Show InChI InChI=1S/C24H20ClN7O/c1-30-10-8-15-6-7-17(12-16(15)14-30)28-23-27-13-18-21(29-23)31-11-9-26-24(31)32(22(18)33)20-5-3-2-4-19(20)25/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50043643
PNG
(CHEMBL3355528)
Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1
Show InChI InChI=1S/C24H20ClN7O/c1-30-10-8-15-6-7-17(12-16(15)14-30)28-23-27-13-18-21(29-23)31-11-9-26-24(31)32(22(18)33)20-5-3-2-4-19(20)25/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Weel1 in human NCI-H1299 cells assessed as phosphorylation of Cdk1 after overnight incubation by ELISA PD assay


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair