BindingDB logo
myBDB logout

BDBM50290411 4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide::CHEMBL58580

SMILES: O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N

InChI Key: InChIKey=VKLJXWNPKZRZMV-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50290411   
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))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C alpha.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of c-Src-tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C delta.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair