new BindingDB logo
myBDB logout

BDBM50338063 3-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)prop-2-yn-1-ol::CHEMBL1684665

SMILES: OCC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12

InChI Key: InChIKey=ASKRYCKFRZQYGB-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 = 50338063   
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))
BDBM50338063
PNG
(3-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-y...)
Show SMILES OCC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C17H12N4O/c22-8-2-3-11-5-6-12-10-15(19-14(12)9-11)17-16-13(20-21-17)4-1-7-18-16/h1,4-7,9-10,19,22H,8H2,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/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