new BindingDB logo
myBDB logout

BDBM50338057 1,5-dimethyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-5-yl)-1H-imidazole-4-sulfonamide::CHEMBL1684525

SMILES: Cc1c(ncn1C)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1

InChI Key: InChIKey=SXWKGTHRKXOKPB-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 = 50338057   
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 ITK/TSK


(Homo sapiens (Human))
BDBM50338057
PNG
(1,5-dimethyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-inda...)
Show SMILES Cc1c(ncn1C)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H20N6O2S/c1-12-4-5-14-9-19(23-18(14)8-12)20-16-10-15(6-7-17(16)24-25-20)26-30(28,29)21-13(2)27(3)11-22-21/h4-11,23,26H,1-3H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair