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PDB code 3POZ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (human))
BDBM50358430
PNG
(CHEMBL1614725)
Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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n/an/a 1n/an/an/an/an/an/a



Korea University of Science and Technology (UST)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-diprenorphine binding to kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5147-54 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.003
BindingDB Entry DOI: 10.7270/Q27W6F0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (human))
BDBM50358430
PNG
(CHEMBL1614725)
Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type EGFR expressed in Sf9 cells using [gamma32P]-ATP after 10 mins by scintillation counting


Citation and Details

Article DOI: 10.1021/ml300327z
BindingDB Entry DOI: 10.7270/Q2T1550C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor

  (327/327 = 100%)
(Homo sapiens (human))
BDBM50358430
PNG
(CHEMBL1614725)
Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
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UniChem

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MMDB
PDB
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal DYKDDDD-tagged EGFR cytoplasmic domain (669 to 1210) expressed in baculovirus expression system incubated for 5 mins p...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
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