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BDBM50338112 CHEMBL1684655::N-(1-benzylpyrrolidin-3-yl)-3-(6-methyl-1H-indol-2-yl)-1H-indazol-5-amine

SMILES: Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCN(Cc4ccccc4)C3)cc12

InChI Key: InChIKey=HKMBVPDIYWYWMK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338112   
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))
BDBM50338112
PNG
(CHEMBL1684655 | N-(1-benzylpyrrolidin-3-yl)-3-(6-m...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCN(Cc4ccccc4)C3)cc12
Show InChI InChI=1S/C27H27N5/c1-18-7-8-20-14-26(29-25(20)13-18)27-23-15-21(9-10-24(23)30-31-27)28-22-11-12-32(17-22)16-19-5-3-2-4-6-19/h2-10,13-15,22,28-29H,11-12,16-17H2,1H3,(H,30,31)
PDB
MMDB

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PC cid
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Article
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n/an/a 30n/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