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BDBM326205 (2R)-1-{(3R)-3-[7-amino- 1-(4-phenoxyphenyl)-1H- pyrazolo[3,4-c]pyridin-3- yl]piperidin-1-yl}-1- oxopropan-2-ol::US9637486, Example 17

SMILES: C[C@@H](O)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12

InChI Key: InChIKey=ORVUTGYZYMAZPY-QZTJIDSGSA-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 = 326205   
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))
BDBM326205
PNG
((2R)-1-{(3R)-3-[7-amino- 1-(4-phenoxyphenyl)-1H- p...)
Show SMILES C[C@@H](O)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Show InChI InChI=1S/C26H27N5O3/c1-17(32)26(33)30-15-5-6-18(16-30)23-22-13-14-28-25(27)24(22)31(29-23)19-9-11-21(12-10-19)34-20-7-3-2-4-8-20/h2-4,7-14,17-18,32H,5-6,15-16H2,1H3,(H2,27,28)/t17-,18-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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