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SMILES: O=C(CNc1cccc(OCc2ccccc2)c1)N\N=C1/CCCc2cnccc12

InChI Key: InChIKey=NZRBHDHCONKCTH-SLEBQGDGSA-N

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 = 50257368   
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 alpha type


(Homo sapiens (Human))
BDBM50257368
PNG
(CHEMBL4072224)
Show SMILES O=C(CNc1cccc(OCc2ccccc2)c1)N\N=C1/CCCc2cnccc12
Show InChI InChI=1S/C24H24N4O2/c29-24(28-27-23-11-4-8-19-15-25-13-12-22(19)23)16-26-20-9-5-10-21(14-20)30-17-18-6-2-1-3-7-18/h1-3,5-7,9-10,12-15,26H,4,8,11,16-17H2,(H,28,29)/b27-23+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha active using MBP as substrate after 60 mins in presence of [gamma-32]ATP by scintillation counting


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257368
PNG
(CHEMBL4072224)
Show SMILES O=C(CNc1cccc(OCc2ccccc2)c1)N\N=C1/CCCc2cnccc12
Show InChI InChI=1S/C24H24N4O2/c29-24(28-27-23-11-4-8-19-15-25-13-12-22(19)23)16-26-20-9-5-10-21(14-20)30-17-18-6-2-1-3-7-18/h1-3,5-7,9-10,12-15,26H,4,8,11,16-17H2,(H,28,29)/b27-23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50257368
PNG
(CHEMBL4072224)
Show SMILES O=C(CNc1cccc(OCc2ccccc2)c1)N\N=C1/CCCc2cnccc12
Show InChI InChI=1S/C24H24N4O2/c29-24(28-27-23-11-4-8-19-15-25-13-12-22(19)23)16-26-20-9-5-10-21(14-20)30-17-18-6-2-1-3-7-18/h1-3,5-7,9-10,12-15,26H,4,8,11,16-17H2,(H,28,29)/b27-23+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair