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BDBM327860 8-tert-butyl-4-[2- (hydroxymethyl)-3-[1- methyl-5-[[5- (morpholine-4- carbonyl)pyridin-2- yl]amino]-6- oxopyridazin-3- yl]phenyl]-2,3- dihydro-1,4- benzoxazepin-5-one::US9663494, Compound 8

SMILES: Cn1nc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO

InChI Key: InChIKey=GHVZIIPNZRLGFB-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 = 327860   
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))
BDBM327860
PNG
(8-tert-butyl-4-[2- (hydroxymethyl)-3-[1- methyl-5-...)
Show SMILES Cn1nc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO
Show InChI InChI=1S/C35H38N6O6/c1-35(2,3)23-9-10-25-30(18-23)47-17-14-41(33(25)44)29-7-5-6-24(26(29)21-42)27-19-28(34(45)39(4)38-27)37-31-11-8-22(20-36-31)32(43)40-12-15-46-16-13-40/h5-11,18-20,42H,12-17,21H2,1-4H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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