BindingDB logo
myBDB logout

BDBM50198353 CHEMBL227753::CHEMBL534948::N-(2,6-dimethylphenyl)-5-[4-(1-methylpiperidin-3-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine hydrochloride

SMILES: CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1

InChI Key: InChIKey=ZMNIUTKMAXSZLK-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50198353   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Similars

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



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB
MMDB

KEGG

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

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of cSrc by coupled spectrophotometric enzyme assay


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB
MMDB

KEGG

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

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of cSrc by coupled spectrophotometric enzyme assay


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB
MMDB

KEGG

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

Similars

Article
PubMed
n/an/a 2.73E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Similars

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



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Syk


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Similars

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



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Zap70


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Similars

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



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta2


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198353
PNG
(CHEMBL227753 | CHEMBL534948 | N-(2,6-dimethylpheny...)
Show SMILES CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1
Show InChI InChI=1S/C27H31N5O/c1-19-6-4-7-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-9-11-23(12-10-22)33-17-21-8-5-13-31(3)16-21/h4,6-7,9-12,14-15,18,21H,5,8,13,16-17H2,1-3H3,(H,29,30)
PDB
MMDB

KEGG

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

Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of cSrc in COS7 cells by ELISA


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair