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BDBM326039 1-({(3R)-3-[7-amino-1-(4- phenoxyphenyl)-1H- pyrazolo[3,4-c]pyridin-3- yl]piperidin-1- yl}carbonyl)cyclopropane carbonitrile::US9637486, Example 10

SMILES: Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1(CC1)C#N

InChI Key: InChIKey=LAELGOCGBXCISU-LJQANCHMSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 326039   
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))
BDBM326039
PNG
(1-({(3R)-3-[7-amino-1-(4- phenoxyphenyl)-1H- pyraz...)
Show SMILES Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C28H26N6O2/c29-18-28(13-14-28)27(35)33-16-4-5-19(17-33)24-23-12-15-31-26(30)25(23)34(32-24)20-8-10-22(11-9-20)36-21-6-2-1-3-7-21/h1-3,6-12,15,19H,4-5,13-14,16-17H2,(H2,30,31)/t19-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 11.8n/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