new BindingDB logo
myBDB logout

BDBM50164191 CHEMBL3798787

SMILES: CC1(C)NC(=O)c2ccc(cc2N1CC1CC1)-n1c2cccnc2[nH]c1=O

InChI Key: InChIKey=WWMNGOSHFBCVEU-UHFFFAOYSA-N

Data: 2 IC50

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 = 50164191   
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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164191
PNG
(CHEMBL3798787)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1CC1CC1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C20H21N5O2/c1-20(2)23-18(26)14-8-7-13(10-16(14)24(20)11-12-5-6-12)25-15-4-3-9-21-17(15)22-19(25)27/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,23,26)(H,21,22,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164191
PNG
(CHEMBL3798787)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1CC1CC1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C20H21N5O2/c1-20(2)23-18(26)14-8-7-13(10-16(14)24(20)11-12-5-6-12)25-15-4-3-9-21-17(15)22-19(25)27/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,23,26)(H,21,22,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair