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BDBM327861 8-tert-butyl-4-[2- (hydroxymethyl)-3-[1- methyl-5-[(5- methylsulfonylpyridin- 2-yl)amino]-6- oxopyridazin-3- yl]phenyl]-2,3- dihydro-1,4- benzoxazepin-5-one::US9663494, Compound 9

SMILES: Cn1nc(cc(Nc2ccc(cn2)S(C)(=O)=O)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO

InChI Key: InChIKey=HJKOWHLNZNGWOM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 327861   
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))
BDBM327861
PNG
(8-tert-butyl-4-[2- (hydroxymethyl)-3-[1- methyl-5-...)
Show SMILES Cn1nc(cc(Nc2ccc(cn2)S(C)(=O)=O)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO
Show InChI InChI=1S/C31H33N5O6S/c1-31(2,3)19-9-11-22-27(15-19)42-14-13-36(29(22)38)26-8-6-7-21(23(26)18-37)24-16-25(30(39)35(4)34-24)33-28-12-10-20(17-32-28)43(5,40)41/h6-12,15-17,37H,13-14,18H2,1-5H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.24n/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