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BDBM14682 (1,2,3,4-tetrahydroquinolin-8-yloxy)phosphonic acid::1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate::Fragment 12::RU79073

SMILES: OP(O)(=O)Oc1cccc2CCCNc12

InChI Key: InChIKey=NSJSAHCLJYVEDM-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 14682   
Target
(Institution)
LigandTarget
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
Src


(Homo sapiens (human))
BDBM14682
PNG
((1,2,3,4-tetrahydroquinolin-8-yloxy)phosphonic aci...)
Show SMILES OP(O)(=O)Oc1cccc2CCCNc12
Show InChI InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 3.00E+5n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)