BindingDB logo
myBDB logout

BDBM263557 US9556150, i-45::cyclopropanesulfonic acid (2-{5- amino-1-[2-chloro-4-(3-cyano- phenoxy)-phenyl]-1h-pyrazole- 4-carbonyl}-1h-indole-5- carbonyl)-amide

SMILES: Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=BDQJOUXQTBMULB-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 = 263557   
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))
BDBM263557
PNG
(US9556150, i-45 | cyclopropanesulfonic acid (2-{5-...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C29H21ClN6O5S/c30-23-13-20(41-19-3-1-2-16(10-19)14-31)5-9-26(23)36-28(32)22(15-33-36)27(37)25-12-18-11-17(4-8-24(18)34-25)29(38)35-42(39,40)21-6-7-21/h1-5,8-13,15,21,34H,6-7,32H2,(H,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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