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BDBM263568 2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phenoxy)- phenyl]-1h-pyrazole-4- carbonyl}-1h-indole-5- carboxylic acid (2-methylamino- ethyl)-amideacetic acid salt::US9556150, i-56

SMILES: CNCCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl

InChI Key: InChIKey=WUZJVKICBPQRHN-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 263568   
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))
BDBM263568
PNG
(2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phe...)
Show SMILES CNCCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
Show InChI InChI=1S/C31H30ClN7O4/c1-34-12-13-35-30(41)18-8-10-24-19(14-18)15-25(37-24)28(40)22-17-36-39(29(22)33)26-11-9-20(16-23(26)32)43-27-7-5-4-6-21(27)31(42)38(2)3/h4-11,14-17,34,37H,12-13,33H2,1-3H3,(H,35,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.10n/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)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2571F1S
More data for this
Ligand-Target Pair