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BDBM264371 US9714247, 92

SMILES: CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1

InChI Key: InChIKey=HEHGRXNUTBEEPZ-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 = 264371   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM264371
PNG
(US9714247, 92)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C27H29F2N5O2/c1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29/h7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32)
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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)


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


(Homo sapiens (Human))
BDBM264371
PNG
(US9714247, 92)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C27H29F2N5O2/c1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29/h7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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)


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


(Homo sapiens (Human))
BDBM264371
PNG
(US9714247, 92)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C27H29F2N5O2/c1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29/h7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
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)


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