BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'bar-sinai' and Initial = 'a'   
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/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036694
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfany...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O
Show InChI InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036687
PNG
((E)-3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C19H18N2O3S/c1-24-17-9-14(7-15(10-20)19(21)23)8-16(18(17)22)12-25-11-13-5-3-2-4-6-13/h2-9,22H,11-12H2,1H3,(H2,21,23)/b15-7+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036698
PNG
((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O
Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 250n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036691
PNG
((E)-3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-hydro...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 350n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036694
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfany...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O
Show InChI InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 400n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036688
PNG
(2-[5-((E)-2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-m...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O
Show InChI InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 450n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036686
PNG
((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 640n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036679
PNG
((E)-2-Cyano-3-[4-hydroxy-3-methoxy-5-(pyridin-2-yl...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccn2)c1O
Show InChI InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 700n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036688
PNG
(2-[5-((E)-2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-m...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O
Show InChI InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 710n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036678
PNG
(3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-phen...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C25H21NO5S/c1-31-23-11-17(9-19(13-26)24(29)18-7-8-21(27)22(28)12-18)10-20(25(23)30)15-32-14-16-5-3-2-4-6-16/h2-12,27-28,30H,14-15H2,1H3/b19-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 750n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036686
PNG
((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 940n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036686
PNG
((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036700
PNG
((E)-3-[3-(Benzooxazol-2-ylsulfanylmethyl)-4-hydrox...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3o2)c1O
Show InChI InChI=1S/C19H15N3O4S/c1-25-16-8-11(6-12(9-20)18(21)24)7-13(17(16)23)10-27-19-22-14-4-2-3-5-15(14)26-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036701
PNG
(2-Cyano-3-[4-hydroxy-3-(4-hydroxy-phenylsulfanylme...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(O)cc2)c1O
Show InChI InChI=1S/C18H16N2O4S/c1-24-16-8-11(6-12(9-19)18(20)23)7-13(17(16)22)10-25-15-4-2-14(21)3-5-15/h2-8,21-22H,10H2,1H3,(H2,20,23)/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036680
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-p-tolylsulfan...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O
Show InChI InChI=1S/C19H18N2O3S/c1-12-3-5-16(6-4-12)25-11-15-8-13(7-14(10-20)19(21)23)9-17(24-2)18(15)22/h3-9,22H,11H2,1-2H3,(H2,21,23)/b14-7+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036690
PNG
(2-Cyano-3-[4-hydroxy-3-methoxy-5-(naphthalen-2-yls...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc3ccccc3c2)c1O
Show InChI InChI=1S/C22H18N2O3S/c1-27-20-10-14(8-17(12-23)22(24)26)9-18(21(20)25)13-28-19-7-6-15-4-2-3-5-16(15)11-19/h2-11,25H,13H2,1H3,(H2,24,26)/b17-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036680
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-p-tolylsulfan...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O
Show InChI InChI=1S/C19H18N2O3S/c1-12-3-5-16(6-4-12)25-11-15-8-13(7-14(10-20)19(21)23)9-17(24-2)18(15)22/h3-9,22H,11H2,1-2H3,(H2,21,23)/b14-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036680
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-p-tolylsulfan...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O
Show InChI InChI=1S/C19H18N2O3S/c1-12-3-5-16(6-4-12)25-11-15-8-13(7-14(10-20)19(21)23)9-17(24-2)18(15)22/h3-9,22H,11H2,1-2H3,(H2,21,23)/b14-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036687
PNG
((E)-3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C19H18N2O3S/c1-24-17-9-14(7-15(10-20)19(21)23)8-16(18(17)22)12-25-11-13-5-3-2-4-6-13/h2-9,22H,11-12H2,1H3,(H2,21,23)/b15-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036687
PNG
((E)-3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C19H18N2O3S/c1-24-17-9-14(7-15(10-20)19(21)23)8-16(18(17)22)12-25-11-13-5-3-2-4-6-13/h2-9,22H,11-12H2,1H3,(H2,21,23)/b15-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036701
PNG
(2-Cyano-3-[4-hydroxy-3-(4-hydroxy-phenylsulfanylme...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(O)cc2)c1O
Show InChI InChI=1S/C18H16N2O4S/c1-24-16-8-11(6-12(9-19)18(20)23)7-13(17(16)22)10-25-15-4-2-14(21)3-5-15/h2-8,21-22H,10H2,1H3,(H2,20,23)/b12-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036678
PNG
(3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-phen...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C25H21NO5S/c1-31-23-11-17(9-19(13-26)24(29)18-7-8-21(27)22(28)12-18)10-20(25(23)30)15-32-14-16-5-3-2-4-6-16/h2-12,27-28,30H,14-15H2,1H3/b19-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036681
PNG
((E)-2-Cyano-3-[3-(4,5-dihydro-thiazol-2-ylsulfanyl...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSC2=NCCS2)c1O |t:16|
Show InChI InChI=1S/C15H15N3O3S2/c1-21-12-6-9(4-10(7-16)14(17)20)5-11(13(12)19)8-23-15-18-2-3-22-15/h4-6,19H,2-3,8H2,1H3,(H2,17,20)/b10-4+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036698
PNG
((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O
Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036701
PNG
(2-Cyano-3-[4-hydroxy-3-(4-hydroxy-phenylsulfanylme...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(O)cc2)c1O
Show InChI InChI=1S/C18H16N2O4S/c1-24-16-8-11(6-12(9-19)18(20)23)7-13(17(16)22)10-25-15-4-2-14(21)3-5-15/h2-8,21-22H,10H2,1H3,(H2,20,23)/b12-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036689
PNG
(2-(4-Hydroxy-3-methoxy-5-phenylsulfanylmethyl-benz...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2)c1-[#8]
Show InChI InChI=1S/C18H14N2O2S/c1-22-17-9-13(7-14(10-19)11-20)8-15(18(17)21)12-23-16-5-3-2-4-6-16/h2-9,21H,12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036698
PNG
((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O
Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036701
PNG
(2-Cyano-3-[4-hydroxy-3-(4-hydroxy-phenylsulfanylme...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(O)cc2)c1O
Show InChI InChI=1S/C18H16N2O4S/c1-24-16-8-11(6-12(9-19)18(20)23)7-13(17(16)22)10-25-15-4-2-14(21)3-5-15/h2-8,21-22H,10H2,1H3,(H2,20,23)/b12-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036694
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfany...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O
Show InChI InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM4341
PNG
(2-[(3,4,5-trihydroxyphenyl)methylidene]propanedini...)
Show SMILES [#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#8])c1-[#8]
Show InChI InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory activity against protein tyrosine kinase


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036686
PNG
((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036685
PNG
(3-[3-(4-Chloro-benzylsulfanylmethyl)-4-hydroxy-5-m...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-13(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-12-2-4-16(20)5-3-12/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036692
PNG
(3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4,5-dihydro...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSc2nc3ccccc3s2)c1)\C#N
Show InChI InChI=1S/C18H13N3O3S2/c19-8-11(17(20)24)5-10-6-12(16(23)14(22)7-10)9-25-18-21-13-3-1-2-4-15(13)26-18/h1-7,22-23H,9H2,(H2,20,24)/b11-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036702
PNG
((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O
Show InChI InChI=1S/C20H19N3O4S/c1-12(24)23-16-5-3-4-6-18(16)28-11-15-8-13(7-14(10-21)20(22)26)9-17(27-2)19(15)25/h3-9,25H,11H2,1-2H3,(H2,22,26)(H,23,24)/b14-7+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036679
PNG
((E)-2-Cyano-3-[4-hydroxy-3-methoxy-5-(pyridin-2-yl...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccn2)c1O
Show InChI InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)/b12-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036683
PNG
((E)-3-[3-(5-Chloro-benzothiazol-2-ylsulfanylmethyl...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3cc(Cl)ccc3s2)c1O
Show InChI InChI=1S/C19H14ClN3O3S2/c1-26-15-6-10(4-11(8-21)18(22)25)5-12(17(15)24)9-27-19-23-14-7-13(20)2-3-16(14)28-19/h2-7,24H,9H2,1H3,(H2,22,25)/b11-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036683
PNG
((E)-3-[3-(5-Chloro-benzothiazol-2-ylsulfanylmethyl...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3cc(Cl)ccc3s2)c1O
Show InChI InChI=1S/C19H14ClN3O3S2/c1-26-15-6-10(4-11(8-21)18(22)25)5-12(17(15)24)9-27-19-23-14-7-13(20)2-3-16(14)28-19/h2-7,24H,9H2,1H3,(H2,22,25)/b11-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036678
PNG
(3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-phen...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C25H21NO5S/c1-31-23-11-17(9-19(13-26)24(29)18-7-8-21(27)22(28)12-18)10-20(25(23)30)15-32-14-16-5-3-2-4-6-16/h2-12,27-28,30H,14-15H2,1H3/b19-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036690
PNG
(2-Cyano-3-[4-hydroxy-3-methoxy-5-(naphthalen-2-yls...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc3ccccc3c2)c1O
Show InChI InChI=1S/C22H18N2O3S/c1-27-20-10-14(8-17(12-23)22(24)26)9-18(21(20)25)13-28-19-7-6-15-4-2-3-5-16(15)11-19/h2-11,25H,13H2,1H3,(H2,24,26)/b17-8+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036700
PNG
((E)-3-[3-(Benzooxazol-2-ylsulfanylmethyl)-4-hydrox...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3o2)c1O
Show InChI InChI=1S/C19H15N3O4S/c1-25-16-8-11(6-12(9-20)18(21)24)7-13(17(16)23)10-27-19-22-14-4-2-3-5-15(14)26-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036702
PNG
((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O
Show InChI InChI=1S/C20H19N3O4S/c1-12(24)23-16-5-3-4-6-18(16)28-11-15-8-13(7-14(10-21)20(22)26)9-17(27-2)19(15)25/h3-9,25H,11H2,1-2H3,(H2,22,26)(H,23,24)/b14-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036684
PNG
(2-(3,4-Dihydroxy-5-methyl-benzylidene)-malononitri...)
Show SMILES [#6]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#8])c1-[#8]
Show InChI InChI=1S/C11H8N2O2/c1-7-2-8(3-9(5-12)6-13)4-10(14)11(7)15/h2-4,14-15H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036700
PNG
((E)-3-[3-(Benzooxazol-2-ylsulfanylmethyl)-4-hydrox...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3o2)c1O
Show InChI InChI=1S/C19H15N3O4S/c1-25-16-8-11(6-12(9-20)18(21)24)7-13(17(16)23)10-27-19-22-14-4-2-3-5-15(14)26-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036689
PNG
(2-(4-Hydroxy-3-methoxy-5-phenylsulfanylmethyl-benz...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2)c1-[#8]
Show InChI InChI=1S/C18H14N2O2S/c1-22-17-9-13(7-14(10-19)11-20)8-15(18(17)21)12-23-16-5-3-2-4-6-16/h2-9,21H,12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036697
PNG
((E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-h...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O
Show InChI InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036678
PNG
(3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-phen...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C25H21NO5S/c1-31-23-11-17(9-19(13-26)24(29)18-7-8-21(27)22(28)12-18)10-20(25(23)30)15-32-14-16-5-3-2-4-6-16/h2-12,27-28,30H,14-15H2,1H3/b19-9+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036692
PNG
(3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4,5-dihydro...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSc2nc3ccccc3s2)c1)\C#N
Show InChI InChI=1S/C18H13N3O3S2/c19-8-11(17(20)24)5-10-6-12(16(23)14(22)7-10)9-25-18-21-13-3-1-2-4-15(13)26-18/h1-7,22-23H,9H2,(H2,20,24)/b11-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036690
PNG
(2-Cyano-3-[4-hydroxy-3-methoxy-5-(naphthalen-2-yls...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc3ccccc3c2)c1O
Show InChI InChI=1S/C22H18N2O3S/c1-27-20-10-14(8-17(12-23)22(24)26)9-18(21(20)25)13-28-19-7-6-15-4-2-3-5-16(15)11-19/h2-11,25H,13H2,1H3,(H2,24,26)/b17-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036689
PNG
(2-(4-Hydroxy-3-methoxy-5-phenylsulfanylmethyl-benz...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2)c1-[#8]
Show InChI InChI=1S/C18H14N2O2S/c1-22-17-9-13(7-14(10-19)11-20)8-15(18(17)21)12-23-16-5-3-2-4-6-16/h2-9,21H,12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036695
PNG
(2-[5-(2,2-Dicyano-vinyl)-2-hydroxy-3-methoxy-benzy...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2-[#6](-[#8])=O)c1-[#8]
Show InChI InChI=1S/C19H14N2O4S/c1-25-16-8-12(6-13(9-20)10-21)7-14(18(16)22)11-26-17-5-3-2-4-15(17)19(23)24/h2-8,22H,11H2,1H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 104 total )  |  Next  |  Last  >>
Jump to: