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PDB code 2OF4

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lck

  (271/271 = 100%)
(Homo sapiens (Human))
BDBM17714
PNG
(5,6-diphenyl-N-[2-(piperazin-1-yl)ethyl]furo[2,3-d...)
Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 17: 2305-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck

  (271/271 = 100%)
(Homo sapiens (Human))
BDBM17714
PNG
(5,6-diphenyl-N-[2-(piperazin-1-yl)ethyl]furo[2,3-d...)
Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 81n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output