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BDBM263529 (2-{5-amino-1-[4-(3-bromo- phenoxy)-2-methyl-phenyl]-1h- pyrazole-4-carbonyl}-1h-indol- 5-yl)-morpholin-4-yl-methanone::US9556150, i-17

SMILES: Cc1cc(Oc2cccc(Br)c2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N

InChI Key: InChIKey=XZOMKLFWRGDZPZ-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 = 263529   
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))
BDBM263529
PNG
((2-{5-amino-1-[4-(3-bromo- phenoxy)-2-methyl-pheny...)
Show SMILES Cc1cc(Oc2cccc(Br)c2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H26BrN5O4/c1-18-13-23(40-22-4-2-3-21(31)16-22)6-8-27(18)36-29(32)24(17-33-36)28(37)26-15-20-14-19(5-7-25(20)34-26)30(38)35-9-11-39-12-10-35/h2-8,13-17,34H,9-12,32H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/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