BindingDB logo
myBDB logout

BDBM326215 1-[4-(3-fluorophenoxy)phenyl]-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazolo[3,4-c]pyridin-7-amine::US9637486, Example 28

SMILES: C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nn(-c2ccc(Oc3cccc(F)c3)cc2)c2c(N)nccc12

InChI Key: InChIKey=REROYALHTANKMC-RBUKOAKNSA-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 = 326215   
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))
BDBM326215
PNG
(1-[4-(3-fluorophenoxy)phenyl]-3-{(3R,6S)-6-methyl-...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nn(-c2ccc(Oc3cccc(F)c3)cc2)c2c(N)nccc12
Show InChI InChI=1S/C29H30FN5O3/c1-18-6-7-19(15-34(18)28(36)29(2)16-37-17-29)25-24-12-13-32-27(31)26(24)35(33-25)21-8-10-22(11-9-21)38-23-5-3-4-20(30)14-23/h3-5,8-14,18-19H,6-7,15-17H2,1-2H3,(H2,31,32)/t18-,19+/m0/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 3.80n/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