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BDBM326214 (R)-(3-(7-amino-1-(4-(4-fluorophenoxy)phenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl)piperidin-1-yl)(3-methyloxetan-3-yl)methanone::US9637486, Example 26

SMILES: CC1(COC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccc(F)cc3)cc2)c2c(N)nccc12

InChI Key: InChIKey=YHCQFHRYTXITTH-GOSISDBHSA-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 = 326214   
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))
BDBM326214
PNG
((R)-(3-(7-amino-1-(4-(4-fluorophenoxy)phenyl)-1H-p...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccc(F)cc3)cc2)c2c(N)nccc12
Show InChI InChI=1S/C28H28FN5O3/c1-28(16-36-17-28)27(35)33-14-2-3-18(15-33)24-23-12-13-31-26(30)25(23)34(32-24)20-6-10-22(11-7-20)37-21-8-4-19(29)5-9-21/h4-13,18H,2-3,14-17H2,1H3,(H2,30,31)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56.9n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in as...


US Patent US9637486 (2017)

More data for this
Ligand-Target Pair