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SMILES: Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12

InChI Key: InChIKey=OODFMLQWPHKOIJ-UHFFFAOYSA-N

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 = 275473   
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/Lck


(Homo sapiens (Human))
BDBM275473
PNG
(US9879013, 8(14))
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C26H26N6O3/c1-2-22(33)30-14-12-18(13-15-30)16-31-25-23(24(27)28-17-29-25)32(26(31)34)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)


BindingDB Entry DOI: 10.7270/Q2X63PZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK/Lyn


(Homo sapiens (Human))
BDBM275473
PNG
(US9879013, 8(14))
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C26H26N6O3/c1-2-22(33)30-14-12-18(13-15-30)16-31-25-23(24(27)28-17-29-25)32(26(31)34)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.77E+6n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)


BindingDB Entry DOI: 10.7270/Q2X63PZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK/Fyn


(Homo sapiens (Human))
BDBM275473
PNG
(US9879013, 8(14))
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C26H26N6O3/c1-2-22(33)30-14-12-18(13-15-30)16-31-25-23(24(27)28-17-29-25)32(26(31)34)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+6n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)


BindingDB Entry DOI: 10.7270/Q2X63PZ1
More data for this
Ligand-Target Pair