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BDBM264387 US9714247, 108

SMILES: CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2OC)nc1

InChI Key: InChIKey=NNRRQCHFLKTCHC-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 = 264387   
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))
BDBM264387
PNG
(US9714247, 108)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2OC)nc1
Show InChI InChI=1S/C28H32ClN5O3/c1-5-33(6-2)13-14-37-20-11-12-25(31-18-20)32-26-16-23-19(17-30-26)15-21(28(35)34(23)7-3)27-22(29)9-8-10-24(27)36-4/h8-12,15-18H,5-7,13-14H2,1-4H3,(H,30,31,32)
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PC sid
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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))
BDBM264387
PNG
(US9714247, 108)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2OC)nc1
Show InChI InChI=1S/C28H32ClN5O3/c1-5-33(6-2)13-14-37-20-11-12-25(31-18-20)32-26-16-23-19(17-30-26)15-21(28(35)34(23)7-3)27-22(29)9-8-10-24(27)36-4/h8-12,15-18H,5-7,13-14H2,1-4H3,(H,30,31,32)
PDB
MMDB

Reactome pathway
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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))
BDBM264387
PNG
(US9714247, 108)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2OC)nc1
Show InChI InChI=1S/C28H32ClN5O3/c1-5-33(6-2)13-14-37-20-11-12-25(31-18-20)32-26-16-23-19(17-30-26)15-21(28(35)34(23)7-3)27-22(29)9-8-10-24(27)36-4/h8-12,15-18H,5-7,13-14H2,1-4H3,(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