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SMILES: COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1

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 7 hits for monomerid = 50550133   
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 RIO2


(Homo sapiens (Human))
BDBM50550133
PNG
(CHEMBL4754518)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from N-terminal nanoluciferase-tagged RIOK2 (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET ass...


Citation and Details

Article DOI: 10.1039/d0md00292e
BindingDB Entry DOI: 10.7270/Q2251NSH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50550133
PNG
(CHEMBL4754518)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
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>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MAPK8 using ATF2 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintilla...


Citation and Details

Article DOI: 10.1039/d0md00292e
BindingDB Entry DOI: 10.7270/Q2251NSH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50550133
PNG
(CHEMBL4754518)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
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 5.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MAPK10 using peptide substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintill...


Citation and Details

Article DOI: 10.1039/d0md00292e
BindingDB Entry DOI: 10.7270/Q2251NSH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIO2


(Homo sapiens (Human))
BDBM50550133
PNG
(CHEMBL4754518)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00271
BindingDB Entry DOI: 10.7270/Q2930Z8M
More data for this
Ligand-Target Pair
SNF-related serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50550133
PNG
(CHEMBL4754518)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SNRK E97G/P116A mutant (1 to 505 residues) using KKLRRTLSFAEPG peptide as substrate incubated for 40 mins in presence...


Citation and Details

Article DOI: 10.1039/d0md00292e
BindingDB Entry DOI: 10.7270/Q2251NSH
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 1


(Homo sapiens (Human))
BDBM50550133
PNG
(CHEMBL4754518)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HIPK1 (158 to 555 residues) using myelin ba as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scinti...


Citation and Details

Article DOI: 10.1039/d0md00292e
BindingDB Entry DOI: 10.7270/Q2251NSH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50550133
PNG
(CHEMBL4754518)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK3alpha S449A mutant (2 to end residues) using YRRAAVPPSPSLSR peptide as substrate incubated for 40 mins in presenc...


Citation and Details

Article DOI: 10.1039/d0md00292e
BindingDB Entry DOI: 10.7270/Q2251NSH
More data for this
Ligand-Target Pair