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BDBM263541 US9556150, i-29::{5-amino-1-[4-(2,3-difluoro- phenoxy)-2-hydroxy-phenyl]-1h- pyrazol-4-yl}-[5-(morpholine-4- carbonyl)-1h-indol-2-yl]- methanone

SMILES: Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1O)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1

InChI Key: InChIKey=QTLQGIGMWIPTAG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 263541   
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))
BDBM263541
PNG
(US9556150, i-29 | {5-amino-1-[4-(2,3-difluoro- phe...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1O)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H23F2N5O5/c30-20-2-1-3-25(26(20)31)41-18-5-7-23(24(37)14-18)36-28(32)19(15-33-36)27(38)22-13-17-12-16(4-6-21(17)34-22)29(39)35-8-10-40-11-9-35/h1-7,12-15,34,37H,8-11,32H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical 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/Fluorescenc...


US Patent US9556150 (2017)


BindingDB Entry DOI: 10.7270/Q2571F1S
More data for this
Ligand-Target Pair