BindingDB logo
myBDB logout

PubMed code 17174554

Compile data set for download or QSAR
Found 12 hits of 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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200766
PNG
(4-(3-phenoxylphenyl)-5-cyano-2H-1,2,3-triazole | C...)
Show SMILES N#Cc1[nH]nnc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H10N4O/c16-10-14-15(18-19-17-14)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,(H,17,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200765
PNG
(4-(4-bromophenyl)-5-cyano-2H-1,2,3-triazole | CHEM...)
Show SMILES Brc1ccc(cc1)-c1nn[nH]c1C#N
Show InChI InChI=1S/C9H5BrN4/c10-7-3-1-6(2-4-7)9-8(5-11)12-14-13-9/h1-4H,(H,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200758
PNG
(4-(4-chlorophenyl)-5-cyano-2H-1,2,3-triazole | CHE...)
Show SMILES Clc1ccc(cc1)-c1nn[nH]c1C#N
Show InChI InChI=1S/C9H5ClN4/c10-7-3-1-6(2-4-7)9-8(5-11)12-14-13-9/h1-4H,(H,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200764
PNG
(4-(4-isopropylphenyl)-5-cyano-2H-1,2,3-triazole | ...)
Show SMILES CC(C)c1ccc(cc1)-c1nn[nH]c1C#N
Show InChI InChI=1S/C12H12N4/c1-8(2)9-3-5-10(6-4-9)12-11(7-13)14-16-15-12/h3-6,8H,1-2H3,(H,14,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200757
PNG
(4-(4-fluoro-3-phenoxylphenyl)-5-cyano-2H-1,2,3-tri...)
Show SMILES Fc1cc(ccc1Oc1ccccc1)-c1nn[nH]c1C#N
Show InChI InChI=1S/C15H9FN4O/c16-12-8-10(15-13(9-17)18-20-19-15)6-7-14(12)21-11-4-2-1-3-5-11/h1-8H,(H,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200755
PNG
(4-(4-fluorophenyl)-5-cyano-2H-1,2,3-triazole | CHE...)
Show SMILES Fc1ccc(cc1)-c1nn[nH]c1C#N
Show InChI InChI=1S/C9H5FN4/c10-7-3-1-6(2-4-7)9-8(5-11)12-14-13-9/h1-4H,(H,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200759
PNG
(4-(4-methylphenyl)-5-cyano-2H-1,2,3-triazole | CHE...)
Show SMILES Cc1ccc(cc1)-c1nn[nH]c1C#N
Show InChI InChI=1S/C10H8N4/c1-7-2-4-8(5-3-7)10-9(6-11)12-14-13-10/h2-5H,1H3,(H,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.65E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200756
PNG
(4-(3,4,5-trimethoxyphenyl)-5-cyano-2H-1,2,3-triazo...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nn[nH]c1C#N
Show InChI InChI=1S/C12H12N4O3/c1-17-9-4-7(5-10(18-2)12(9)19-3)11-8(6-13)14-16-15-11/h4-5H,1-3H3,(H,14,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200761
PNG
(4-(4-methoxyphenyl)-5-cyano-2H-1,2,3-triazole | CH...)
Show SMILES COc1ccc(cc1)-c1nn[nH]c1C#N
Show InChI InChI=1S/C10H8N4O/c1-15-8-4-2-7(3-5-8)10-9(6-11)12-14-13-10/h2-5H,1H3,(H,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200760
PNG
(4-(3,4-dimethoxyphenyl)-5-cyano-2H-1,2,3-triazole ...)
Show SMILES COc1ccc(cc1OC)-c1nn[nH]c1C#N
Show InChI InChI=1S/C11H10N4O2/c1-16-9-4-3-7(5-10(9)17-2)11-8(6-12)13-15-14-11/h3-5H,1-2H3,(H,13,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200762
PNG
(4-(2,3-dimethoxyphenyl)-5-cyano-2H-1,2,3-triazole ...)
Show SMILES COc1cccc(-c2nn[nH]c2C#N)c1OC
Show InChI InChI=1S/C11H10N4O2/c1-16-9-5-3-4-7(11(9)17-2)10-8(6-12)13-15-14-10/h3-5H,1-2H3,(H,13,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50200763
PNG
(4-phenyl-5-cyano-1,2,3-triazole | CHEMBL269528)
Show SMILES N#Cc1[nH]nnc1-c1ccccc1
Show InChI InChI=1S/C9H6N4/c10-6-8-9(12-13-11-8)7-4-2-1-3-5-7/h1-5H,(H,11,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.35E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay


Bioorg Med Chem 15: 1533-8 (2007)


Article DOI: 10.1016/j.bmc.2006.09.041
BindingDB Entry DOI: 10.7270/Q2M0452P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%