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BDBM327858 6-tert-butyl-2-[2- (hydroxymethyl)-3-[1- methyl-5-[[5- (morpholine-4- carbonyl)pyridin-2- yl]amino]-6- oxopyridazin-3- yl]phenyl]-3,4- dihydro-2,7- naphthyridin-1-one::US9663494, Compound 6

SMILES: Cn1nc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCc3cc(ncc3C2=O)C(C)(C)C)c1CO

InChI Key: InChIKey=HBCKWOKRGNHCJE-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 327858   
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))
BDBM327858
PNG
(6-tert-butyl-2-[2- (hydroxymethyl)-3-[1- methyl-5-...)
Show SMILES Cn1nc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCc3cc(ncc3C2=O)C(C)(C)C)c1CO
Show InChI InChI=1S/C34H37N7O5/c1-34(2,3)29-16-21-10-11-41(32(44)24(21)19-35-29)28-7-5-6-23(25(28)20-42)26-17-27(33(45)39(4)38-26)37-30-9-8-22(18-36-30)31(43)40-12-14-46-15-13-40/h5-9,16-19,42H,10-15,20H2,1-4H3,(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 14.6n/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