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BDBM50043654 CHEMBL3355539

SMILES: CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1

InChI Key: InChIKey=LZNRTNXWTSKNMC-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 = 50043654   
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)
BDBM50043654
PNG
(CHEMBL3355539)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
<1n/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)
BDBM50043654
PNG
(CHEMBL3355539)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
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 60n/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