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BDBM50178614 CHEMBL205723::N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide

SMILES: CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1

InChI Key: InChIKey=XVJQXIUEEXVEKU-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50178614   
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 ABL1


(Homo sapiens (Human))
BDBM50178614
PNG
(CHEMBL205723 | N-(4-methyl-3-(4-(pyrimidin-5-yl)py...)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1
Show InChI InChI=1S/C29H29F3N8O/c1-19-3-6-23(14-26(19)38-28-35-8-7-25(37-28)22-15-33-18-34-16-22)36-27(41)20-4-5-21(24(13-20)29(30,31)32)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,36,41)(H,35,37,38)
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n/an/a 8.80n/an/an/an/an/an/a



Nippon Shinyaku Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Abl kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2712-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.002
BindingDB Entry DOI: 10.7270/Q20C4WK9
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50178614
PNG
(CHEMBL205723 | N-(4-methyl-3-(4-(pyrimidin-5-yl)py...)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1
Show InChI InChI=1S/C29H29F3N8O/c1-19-3-6-23(14-26(19)38-28-35-8-7-25(37-28)22-15-33-18-34-16-22)36-27(41)20-4-5-21(24(13-20)29(30,31)32)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,36,41)(H,35,37,38)
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n/an/a 4n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50178614
PNG
(CHEMBL205723 | N-(4-methyl-3-(4-(pyrimidin-5-yl)py...)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1
Show InChI InChI=1S/C29H29F3N8O/c1-19-3-6-23(14-26(19)38-28-35-8-7-25(37-28)22-15-33-18-34-16-22)36-27(41)20-4-5-21(24(13-20)29(30,31)32)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,36,41)(H,35,37,38)
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PC sid
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Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Nippon Shinyaku Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Lyn kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2712-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.002
BindingDB Entry DOI: 10.7270/Q20C4WK9
More data for this
Ligand-Target Pair