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BDBM50374627 CHEMBL270692

SMILES: COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC

InChI Key: InChIKey=XLLRJKPTDUSPNM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50374627   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50374627
PNG
(CHEMBL270692)
Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50374627
PNG
(CHEMBL270692)
Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374627
PNG
(CHEMBL270692)
Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair