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SMILES: CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCC=C)nc3n2)-c2c(Cl)cccc2Cl)CC1

InChI Key: InChIKey=ASYJZVHCOILIEE-UHFFFAOYSA-N

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 = 3470   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM3470
PNG
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)
Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCC=C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;5.49,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|
Show InChI InChI=1S/C25H30Cl2N8O/c1-3-8-29-25(36)33-23-18(21-19(26)6-4-7-20(21)27)15-17-16-30-24(32-22(17)31-23)28-9-5-10-35-13-11-34(2)12-14-35/h3-4,6-7,15-16H,1,5,8-14H2,2H3,(H3,28,29,30,31,32,33,36)
PDB
MMDB

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Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Pfizer



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 44: 1915-26 (2001)


Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3470
PNG
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)
Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCC=C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;5.49,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|
Show InChI InChI=1S/C25H30Cl2N8O/c1-3-8-29-25(36)33-23-18(21-19(26)6-4-7-20(21)27)15-17-16-30-24(32-22(17)31-23)28-9-5-10-35-13-11-34(2)12-14-35/h3-4,6-7,15-16H,1,5,8-14H2,2H3,(H3,28,29,30,31,32,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Pfizer



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 44: 1915-26 (2001)


Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM3470
PNG
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)
Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCC=C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;5.49,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|
Show InChI InChI=1S/C25H30Cl2N8O/c1-3-8-29-25(36)33-23-18(21-19(26)6-4-7-20(21)27)15-17-16-30-24(32-22(17)31-23)28-9-5-10-35-13-11-34(2)12-14-35/h3-4,6-7,15-16H,1,5,8-14H2,2H3,(H3,28,29,30,31,32,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Pfizer



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 44: 1915-26 (2001)


Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG
More data for this
Ligand-Target Pair