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BDBM50182010 7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine::7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine::7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE::CHEMBL205098

SMILES: COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC

InChI Key: InChIKey=YENZSPIOXMNEFF-UHFFFAOYSA-N

Data: 3 IC50

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 = 50182010   
Target
(Institution)
LigandTarget
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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50182010
PNG
(7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyr...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 212n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK2/TYK2


(Homo sapiens (Human))
BDBM50182010
PNG
(7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyr...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 after 60 mins by Caliper mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50182010
PNG
(7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyr...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibitory activity against FAK


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)