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BDBM3779 Benzothieno[3,2-d]pyrimidine deriv. 70::N-(3-bromophenyl)-10-nitro-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

SMILES: [O-][N+](=O)c1cccc2c1sc1c(Nc3cccc(Br)c3)ncnc21

InChI Key: InChIKey=CHSSRCXGDCYIHR-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 = 3779   
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))
BDBM3779
PNG
(Benzothieno[3,2-d]pyrimidine deriv. 70 | N-(3-brom...)
Show SMILES [O-][N+](=O)c1cccc2c1sc1c(Nc3cccc(Br)c3)ncnc21
Show InChI InChI=1S/C16H9BrN4O2S/c17-9-3-1-4-10(7-9)20-16-15-13(18-8-19-16)11-5-2-6-12(21(22)23)14(11)24-15/h1-8H,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 158n/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