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BDBM197240 US9090621, 22B

SMILES: Nc1ncnc2n(CC3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12

InChI Key: InChIKey=FPHXGYHQFBCZMT-RCCKNPSSNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 197240   
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))
BDBM197240
PNG
(US9090621, 22B)
Show SMILES Nc1ncnc2n(CC3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1/C29H27N7O2/c30-16-21(15-19-8-9-19)29(37)35-14-4-5-22(35)17-36-28-25(27(31)32-18-33-28)26(34-36)20-10-12-24(13-11-20)38-23-6-2-1-3-7-23/h1-3,6-7,10-13,15,18-19,22H,4-5,8-9,14,17H2,(H2,31,32,33)/b21-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/a25



Principia Biopharma Inc

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9090621 (2015)


BindingDB Entry DOI: 10.7270/Q27M06QW
More data for this
Ligand-Target Pair