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BDBM352195 US9802920, Compound I-19::[5-Amino-1-(4-phenoxy- phenyl)-1H-pyrazol-4-yl]-(6- morpholin-4-ylmethyl-1H- indol-2-yl)-methanone

SMILES: Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1)C(=O)c1cc2ccc(CN3CCOCC3)cc2[nH]1

InChI Key: InChIKey=WVUGMCJEYCZOJI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 352195   
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))
BDBM352195
PNG
(US9802920, Compound I-19 | [5-Amino-1-(4-phenoxy- ...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1)C(=O)c1cc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C29H27N5O3/c30-29-25(18-31-34(29)22-8-10-24(11-9-22)37-23-4-2-1-3-5-23)28(35)27-17-21-7-6-20(16-26(21)32-27)19-33-12-14-36-15-13-33/h1-11,16-18,32H,12-15,19,30H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...


US Patent US9802920 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PXH
More data for this
Ligand-Target Pair