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BDBM263563 2-(4-{5-amino-4-[5-(piperazine- 1-carbonyl)-1h-indole-2- carbonyl]-pyrazol-1-yl}-3- chloro-phenoxy)-n,n-dimethyl- benzamide acetic acid salt::US9556150, i-51

SMILES: CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCNCC2)c1N

InChI Key: InChIKey=UHSMGRRCMKVAFZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 263563   
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))
BDBM263563
PNG
(2-(4-{5-amino-4-[5-(piperazine- 1-carbonyl)-1h-ind...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCNCC2)c1N
Show InChI InChI=1S/C32H30ClN7O4/c1-38(2)32(43)22-5-3-4-6-28(22)44-21-8-10-27(24(33)17-21)40-30(34)23(18-36-40)29(41)26-16-20-15-19(7-9-25(20)37-26)31(42)39-13-11-35-12-14-39/h3-10,15-18,35,37H,11-14,34H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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