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BDBM50442149 CHEMBL2441267

SMILES: Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1

InChI Key: InChIKey=LHVUZIHFLUPGOR-SAABIXHNSA-N

Data: 2 KI

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 2 hits for monomerid = 50442149   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50442149
PNG
(CHEMBL2441267)
Show SMILES Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1
Show InChI InChI=1S/C21H25N5OS/c1-14-13-22-21(28-14)26-19-12-17(11-15-5-3-2-4-6-15)24-20(25-19)23-16-7-9-18(27)10-8-16/h2-6,12-13,16,18,27H,7-11H2,1H3,(H2,22,23,24,25,26)/t16-,18-
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Aurora-B (unknown origin) using 5FAM-PKAtide as substrate after 120 mins


Citation and Details

Article DOI: 10.1021/ml400206q
BindingDB Entry DOI: 10.7270/Q28P61Z7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens)
BDBM50442149
PNG
(CHEMBL2441267)
Show SMILES Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1
Show InChI InChI=1S/C21H25N5OS/c1-14-13-22-21(28-14)26-19-12-17(11-15-5-3-2-4-6-15)24-20(25-19)23-16-7-9-18(27)10-8-16/h2-6,12-13,16,18,27H,7-11H2,1H3,(H2,22,23,24,25,26)/t16-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins


Citation and Details

Article DOI: 10.1021/ml400206q
BindingDB Entry DOI: 10.7270/Q28P61Z7
More data for this
Ligand-Target Pair