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BDBM264386 US9714247, 107

SMILES: CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2C(F)(F)F)nc1

InChI Key: InChIKey=GIMGOZSLEXIZEN-UHFFFAOYSA-N

Data: 3 IC50

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 = 264386   
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 BTK


(Homo sapiens (Human))
BDBM264386
PNG
(US9714247, 107)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2C(F)(F)F)nc1
Show InChI InChI=1S/C28H30F3N5O2/c1-4-35(5-2)13-14-38-20-11-12-25(33-18-20)34-26-16-24-19(17-32-26)15-22(27(37)36(24)6-3)21-9-7-8-10-23(21)28(29,30)31/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,32,33,34)
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US Patent
n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals Inc

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)


Article DOI: null
BindingDB Entry DOI: 10.7270/Q2BR8V6C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM264386
PNG
(US9714247, 107)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2C(F)(F)F)nc1
Show InChI InChI=1S/C28H30F3N5O2/c1-4-35(5-2)13-14-38-20-11-12-25(33-18-20)34-26-16-24-19(17-32-26)15-22(27(37)36(24)6-3)21-9-7-8-10-23(21)28(29,30)31/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,32,33,34)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 550n/an/an/an/an/an/a



Tolero Pharmaceuticals Inc

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)


Article DOI: null
BindingDB Entry DOI: 10.7270/Q2BR8V6C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264386
PNG
(US9714247, 107)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2C(F)(F)F)nc1
Show InChI InChI=1S/C28H30F3N5O2/c1-4-35(5-2)13-14-38-20-11-12-25(33-18-20)34-26-16-24-19(17-32-26)15-22(27(37)36(24)6-3)21-9-7-8-10-23(21)28(29,30)31/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals Inc

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)


Article DOI: null
BindingDB Entry DOI: 10.7270/Q2BR8V6C
More data for this
Ligand-Target Pair