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BDBM263566 2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phenoxy)- phenyl]-1h-pyrazole-carbonyl}- 1h-indole-5-carboxylic acid (1- methyl-pyrrolidin-3-y1)-amide acetic acid salt::US9556150, i-54

SMILES: CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NC2CCN(C)C2)c1N

InChI Key: InChIKey=PAFHTQLUOXVLLZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 263566   
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))
BDBM263566
PNG
(2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phe...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NC2CCN(C)C2)c1N
Show InChI InChI=1S/C33H32ClN7O4/c1-39(2)33(44)23-6-4-5-7-29(23)45-22-9-11-28(25(34)16-22)41-31(35)24(17-36-41)30(42)27-15-20-14-19(8-10-26(20)38-27)32(43)37-21-12-13-40(3)18-21/h4-11,14-17,21,38H,12-13,18,35H2,1-3H3,(H,37,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.90n/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