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SMILES: Cc1ccc2[nH]ncc2c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12

InChI Key:

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 = 50598819   
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
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50598819
PNG
(CHEMBL5181291)
Show SMILES Cc1ccc2[nH]ncc2c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(1.07,1.63,;1.96,.78,;3.44,1.21,;4.55,.14,;4.19,-1.35,;5.05,-2.62,;4.11,-3.84,;2.71,-3.32,;2.71,-1.78,;1.6,-.72,;.09,-1.04,;-.54,-2.45,;.08,-3.52,;-2.07,-2.29,;-3.09,-3.44,;-4.3,-3.18,;-2.71,-4.61,;-2.39,-.78,;-3.72,-.01,;-3.72,1.53,;-5.05,2.3,;-5.05,3.84,;-3.72,4.61,;-2.39,3.84,;-2.39,2.3,;-1.05,1.53,;-1.05,-.01,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598819
PNG
(CHEMBL5181291)
Show SMILES Cc1ccc2[nH]ncc2c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(1.07,1.63,;1.96,.78,;3.44,1.21,;4.55,.14,;4.19,-1.35,;5.05,-2.62,;4.11,-3.84,;2.71,-3.32,;2.71,-1.78,;1.6,-.72,;.09,-1.04,;-.54,-2.45,;.08,-3.52,;-2.07,-2.29,;-3.09,-3.44,;-4.3,-3.18,;-2.71,-4.61,;-2.39,-.78,;-3.72,-.01,;-3.72,1.53,;-5.05,2.3,;-5.05,3.84,;-3.72,4.61,;-2.39,3.84,;-2.39,2.3,;-1.05,1.53,;-1.05,-.01,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair