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BDBM50172246 CHEMBL3103191

SMILES: CN(C)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O

InChI Key: InChIKey=SRABOMKMQRYXIK-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50172246   
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
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50172246
PNG
(CHEMBL3103191)
Show SMILES CN(C)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C23H29N9O/c1-15(33)26-19-11-18(7-8-20(19)31(4)10-9-30(2)3)27-21-12-22(28-17-5-6-17)32-23(29-21)16(13-24)14-25-32/h7-8,11-12,14,17,28H,5-6,9-10H2,1-4H3,(H,26,33)(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50172246
PNG
(CHEMBL3103191)
Show SMILES CN(C)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C23H29N9O/c1-15(33)26-19-11-18(7-8-20(19)31(4)10-9-30(2)3)27-21-12-22(28-17-5-6-17)32-23(29-21)16(13-24)14-25-32/h7-8,11-12,14,17,28H,5-6,9-10H2,1-4H3,(H,26,33)(H,27,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50172246
PNG
(CHEMBL3103191)
Show SMILES CN(C)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C23H29N9O/c1-15(33)26-19-11-18(7-8-20(19)31(4)10-9-30(2)3)27-21-12-22(28-17-5-6-17)32-23(29-21)16(13-24)14-25-32/h7-8,11-12,14,17,28H,5-6,9-10H2,1-4H3,(H,26,33)(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 48n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged recombinant human CK2alpha (6 to 335 residues) after 50 to 116.7 mins by surface plasmon resonance assay


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)