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BDBM348624 US9790229, Compound 347

SMILES: Nc1ncnc(N2CCC[C@H](C2)N2CC=CC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F

InChI Key: InChIKey=IZUGRDGGPVZOSN-RXQGYGPJNA-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 = 348624   
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))
BDBM348624
PNG
(US9790229, Compound 347)
Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CC=CC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F
Show InChI InChI=1/C21H23ClF2N6O/c22-13-8-14(23)10-15(9-13)28-17-5-1-2-7-30(21(17)31)16-4-3-6-29(11-16)20-18(24)19(25)26-12-27-20/h1-2,8-10,12,16-17,28H,3-7,11H2,(H2,25,26,27)/t16-,17-/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<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair