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BDBM326212 3-[(3R)-1-but-2- ynoylpiperidin-3-yl]-1-(4- phenoxyphenyl)-1H- pyrazolo[3,4-c]pyridin-7- amine::US9637486, Example 24

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

InChI Key: InChIKey=LQDSCVVHIWNHEY-LJQANCHMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 326212   
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))
BDBM326212
PNG
(3-[(3R)-1-but-2- ynoylpiperidin-3-yl]-1-(4- phenox...)
Show SMILES CC#CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Show InChI InChI=1S/C27H25N5O2/c1-2-7-24(33)31-17-6-8-19(18-31)25-23-15-16-29-27(28)26(23)32(30-25)20-11-13-22(14-12-20)34-21-9-4-3-5-10-21/h3-5,9-16,19H,6,8,17-18H2,1H3,(H2,28,29)/t19-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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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