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SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=SLIVDYMORZGPLW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 260151   
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 [T315I]


(Homo sapiens (Human))
BDBM260151
PNG
(US9522910, Table 1 Compound 1: 4-methyl-N-{4-[(4-m...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
US Patent
n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...


US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM260151
PNG
(US9522910, Table 1 Compound 1: 4-methyl-N-{4-[(4-m...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
US Patent
n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...


US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair