BindingDB logo
myBDB logout

BDBM291312 US9580432, Example 43

SMILES: Nc1ncnc2n(nc(C(=O)NC3=[O]c4ccc(cc4N3)C(F)(F)F)c12)[C@@H]1CCN(C1)C(=O)C=C

InChI Key: InChIKey=ZQFXXYFWVJJNKC-LDGXTIHJNA-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 = 291312   
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
TEC family kinase


(Homo sapiens (Human))
BDBM291312
PNG
(US9580432, Example 43)
Show SMILES Nc1ncnc2n(nc(C(=O)NC3=[O]c4ccc(cc4N3)C(F)(F)F)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1/C21H18F3N8O3/c1-2-14(33)31-6-5-11(8-31)32-18-15(17(25)26-9-27-18)16(30-32)19(34)29-20-28-12-7-10(21(22,23)24)3-4-13(12)35-20/h2-4,7,9,11,28H,1,5-6,8H2,(H,29,34)(H2,25,26,27)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.546n/an/an/an/a7.5n/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2NS0WZR
More data for this
Ligand-Target Pair