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BDBM326023 3-{(3R)-1-[(1- methylcyclopropyl)carbon- yl]piperidin-3-yl}-1-(4- phenoxyphenyl)-1H- pyrazolo[3,4-c]pyridin-7- amine::US9637486, Example 8

SMILES: CC1(CC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12

InChI Key: InChIKey=IKYNXHVIZNDUSZ-LJQANCHMSA-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 = 326023   
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))
BDBM326023
PNG
(3-{(3R)-1-[(1- methylcyclopropyl)carbon- yl]piperi...)
Show SMILES CC1(CC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Show InChI InChI=1S/C28H29N5O2/c1-28(14-15-28)27(34)32-17-5-6-19(18-32)24-23-13-16-30-26(29)25(23)33(31-24)20-9-11-22(12-10-20)35-21-7-3-2-4-8-21/h2-4,7-13,16,19H,5-6,14-15,17-18H2,1H3,(H2,29,30)/t19-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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