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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 260158   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM260158
PNG
(US9522910, Table 1 Compound 7: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4cc(ccc34)C(O)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H28F3N5O3/c1-20-3-4-22(15-21(20)9-10-39-19-35-27-16-23(30(41)42)6-8-28(27)39)29(40)36-25-7-5-24(26(17-25)31(32,33)34)18-38-13-11-37(2)12-14-38/h3-8,15-17,19H,11-14,18H2,1-2H3,(H,36,40)(H,41,42)
PDB

UniProtKB/SwissProt

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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))
BDBM260158
PNG
(US9522910, Table 1 Compound 7: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4cc(ccc34)C(O)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H28F3N5O3/c1-20-3-4-22(15-21(20)9-10-39-19-35-27-16-23(30(41)42)6-8-28(27)39)29(40)36-25-7-5-24(26(17-25)31(32,33)34)18-38-13-11-37(2)12-14-38/h3-8,15-17,19H,11-14,18H2,1-2H3,(H,36,40)(H,41,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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