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BDBM3765 12-nitro-N-[3-(trifluoromethyl)phenyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine::Benzothieno[3,2-d]pyrimidine deriv. 56

SMILES: [O-][N+](=O)c1ccc2sc3c(Nc4cccc(c4)C(F)(F)F)ncnc3c2c1

InChI Key: InChIKey=XUMLPLGHKIPVJA-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 3765   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3765
PNG
(12-nitro-N-[3-(trifluoromethyl)phenyl]-8-thia-3,5-...)
Show SMILES [O-][N+](=O)c1ccc2sc3c(Nc4cccc(c4)C(F)(F)F)ncnc3c2c1
Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)9-2-1-3-10(6-9)23-16-15-14(21-8-22-16)12-7-11(24(25)26)4-5-13(12)27-15/h1-8H,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair