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BDBM88535 US9695200, 20

SMILES: FC(F)(F)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1

InChI Key: InChIKey=GFPXUENOIJOQRK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 88535   
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
Phospholipase C-gamma-1


(Homo sapiens (Human))
BDBM88535
PNG
(US9695200, 20)
Show SMILES FC(F)(F)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C22H15F3N4O/c1-2-20(30)29-17-8-14(7-16(10-17)22(23,24)25)15-9-18-19(12-28-21(18)27-11-15)13-3-5-26-6-4-13/h2-12H,1H2,(H,27,28)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a<1.00E+3n/an/an/an/an/a37



Confluence Life Sciences Inc

US Patent


Assay Description
Compounds were serially diluted into DMSO, and then into media to concentrations 10 that of the final assay concentration. Compounds were then added...


US Patent US9695200 (2017)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q20G3H9T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM88535
PNG
(US9695200, 20)
Show SMILES FC(F)(F)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Show InChI InChI=1S/C22H15F3N4O/c1-2-20(30)29-17-8-14(7-16(10-17)22(23,24)25)15-9-18-19(12-28-21(18)27-11-15)13-3-5-26-6-4-13/h2-12H,1H2,(H,27,28)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Confluence Life Sciences Inc

US Patent


Assay Description
This assay is based on the binding of a proprietary, Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor (kinase tracer-236) to the ITK express...


US Patent US9695200 (2017)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q20G3H9T
More data for this
Ligand-Target Pair