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BDBM17736 2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate::2-aminopyrimidine carbamate, 35

SMILES: COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1

InChI Key: InChIKey=OWVLKCRXPYZKDI-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 = 17736   
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))
BDBM17736
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C32H35FN6O4/c1-21-7-6-8-22(2)30(21)43-32(40)39(27-12-10-24(41-4)20-28(27)42-5)29-13-14-34-31(36-29)35-23-9-11-26(25(33)19-23)38-17-15-37(3)16-18-38/h6-14,19-20H,15-18H2,1-5H3,(H,34,35,36)
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))
BDBM17736
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C32H35FN6O4/c1-21-7-6-8-22(2)30(21)43-32(40)39(27-12-10-24(41-4)20-28(27)42-5)29-13-14-34-31(36-29)35-23-9-11-26(25(33)19-23)38-17-15-37(3)16-18-38/h6-14,19-20H,15-18H2,1-5H3,(H,34,35,36)
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 260n/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))
BDBM17736
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C32H35FN6O4/c1-21-7-6-8-22(2)30(21)43-32(40)39(27-12-10-24(41-4)20-28(27)42-5)29-13-14-34-31(36-29)35-23-9-11-26(25(33)19-23)38-17-15-37(3)16-18-38/h6-14,19-20H,15-18H2,1-5H3,(H,34,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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))
BDBM17736
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C32H35FN6O4/c1-21-7-6-8-22(2)30(21)43-32(40)39(27-12-10-24(41-4)20-28(27)42-5)29-13-14-34-31(36-29)35-23-9-11-26(25(33)19-23)38-17-15-37(3)16-18-38/h6-14,19-20H,15-18H2,1-5H3,(H,34,35,36)
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