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BDBM17741 2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-N-(2,4-dimethoxyphenyl)carbamate::2-aminopyrimidine carbamate, 40

SMILES: COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1

InChI Key: InChIKey=GWYGTWXYFRMPAH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 17741   
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))
BDBM17741
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morp...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O8/c1-23-8-7-9-24(2)32(23)48-35(41)40(27-11-10-26(42-3)22-28(27)43-4)31-12-13-36-34(38-31)37-25-20-29(44-5)33(30(21-25)45-6)47-19-16-39-14-17-46-18-15-39/h7-13,20-22H,14-19H2,1-6H3,(H,36,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
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))
BDBM17741
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morp...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O8/c1-23-8-7-9-24(2)32(23)48-35(41)40(27-11-10-26(42-3)22-28(27)43-4)31-12-13-36-34(38-31)37-25-20-29(44-5)33(30(21-25)45-6)47-19-16-39-14-17-46-18-15-39/h7-13,20-22H,14-19H2,1-6H3,(H,36,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM17741
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morp...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O8/c1-23-8-7-9-24(2)32(23)48-35(41)40(27-11-10-26(42-3)22-28(27)43-4)31-12-13-36-34(38-31)37-25-20-29(44-5)33(30(21-25)45-6)47-19-16-39-14-17-46-18-15-39/h7-13,20-22H,14-19H2,1-6H3,(H,36,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17741
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morp...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O8/c1-23-8-7-9-24(2)32(23)48-35(41)40(27-11-10-26(42-3)22-28(27)43-4)31-12-13-36-34(38-31)37-25-20-29(44-5)33(30(21-25)45-6)47-19-16-39-14-17-46-18-15-39/h7-13,20-22H,14-19H2,1-6H3,(H,36,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair