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BDBM263567 US9556150, i-55::{2-[(2-{5-amino-1-[2-chloro-4- (2-dimethylcarbamoyl-phenoxy)- phenyl]-1h-pyrazole-4- carbonyl}-1h-indole-5- carbonyl)-amino]-ethyl}-methyl- carbamic acid tert-butyl ester

SMILES: CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NCCN(C)C(=O)OC(C)(C)C)c1N

InChI Key: InChIKey=WSEZKXVAOZHMQE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 263567   
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))
BDBM263567
PNG
(US9556150, i-55 | {2-[(2-{5-amino-1-[2-chloro-4- (...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NCCN(C)C(=O)OC(C)(C)C)c1N
Show InChI InChI=1S/C36H38ClN7O6/c1-36(2,3)50-35(48)43(6)16-15-39-33(46)21-11-13-27-22(17-21)18-28(41-27)31(45)25-20-40-44(32(25)38)29-14-12-23(19-26(29)37)49-30-10-8-7-9-24(30)34(47)42(4)5/h7-14,17-20,41H,15-16,38H2,1-6H3,(H,39,46)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.10n/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)

More data for this
Ligand-Target Pair