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BDBM327854 2-[8-fluoro-2-[2- (hydroxymethyl)-3-[5- [[5-(1-hydroxy-2- methylpropan-2- yl)oxypyridin-2- yl]amino]-1-methyl-6- oxopyridazin-3- yl]phenyl]-1- oxoisoquinolin-6-yl]- 2-methylpropanenitrile::US9663494, Compound 2

SMILES: Cn1nc(cc(Nc2ccc(OC(C)(C)CO)cn2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C(C)(C)C#N

InChI Key: InChIKey=CWQZQRJSBSNPQP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 327854   
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))
BDBM327854
PNG
(2-[8-fluoro-2-[2- (hydroxymethyl)-3-[5- [[5-(1-hyd...)
Show SMILES Cn1nc(cc(Nc2ccc(OC(C)(C)CO)cn2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C(C)(C)C#N
Show InChI InChI=1S/C34H33FN6O5/c1-33(2,18-36)21-13-20-11-12-41(32(45)30(20)25(35)14-21)28-8-6-7-23(24(28)17-42)26-15-27(31(44)40(5)39-26)38-29-10-9-22(16-37-29)46-34(3,4)19-43/h6-16,42-43H,17,19H2,1-5H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...


US Patent US9663494 (2017)

More data for this
Ligand-Target Pair