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BDBM111452 N-(4-bromophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A5)

SMILES: Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(Br)cc1

InChI Key: InChIKey=JQOGSOAHVQODHB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 111452   
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
Bcr-Abl


(Homo sapiens (Human))
BDBM111452
PNG
(N-(4-bromophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyr...)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C23H18BrN5O/c1-15-4-5-16(22(30)27-19-8-6-18(24)7-9-19)13-21(15)29-23-26-12-10-20(28-23)17-3-2-11-25-14-17/h2-14H,1H3,(H,27,30)(H,26,28,29)
PDB
MMDB

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Article
PubMed
n/an/a 483n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Chem Biol Drug Des 83: 592-9 (2014)


Article DOI: 10.1111/cbdd.12272
BindingDB Entry DOI: 10.7270/Q2GX497N
More data for this
Ligand-Target Pair