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Compile Data Set for Download or QSAR

Found 5 hits from Drug Discovery Area, PharmaMar SAU , Avenida de los Reyes 1, 28770-Colmenar Viejo, Madrid, Spain.   
Target/Host
(Institution)
LigandTarget/Host
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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50350910
PNG
(CHEMBL1817964)
Show SMILES COc1oc(\C=C\C(C)C\C=C\C(\C)=C\C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(\C)=C\C)c(C)c(=O)c1C
Show InChI InChI=1S/C31H46O9/c1-9-19(4)29(40-31-28(36)27(35)26(34)24(16-32)39-31)20(5)15-18(3)12-10-11-17(2)13-14-23-21(6)25(33)22(7)30(37-8)38-23/h9-10,12-15,17,20,24,26-29,31-32,34-36H,11,16H2,1-8H3/b12-10+,14-13+,18-15+,19-9+/t17?,20?,24-,26-,27+,28-,29?,31+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Drug Discovery Area, PharmaMar SAU , Avenida de los Reyes 1, 28770-Colmenar Viejo, Madrid, Spain.

Curated by ChEMBL


Assay Description
Inhibition of EGFR-induced HIF1alpha activation in human HeLa cells preincubated for 1 hr prior to EGF stimulation by luciferase reporter gene assay


J Nat Prod 74: 1590-6 (2011)


Article DOI: 10.1021/np200196j
BindingDB Entry DOI: 10.7270/Q29C6XSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50350910
PNG
(CHEMBL1817964)
Show SMILES COc1oc(\C=C\C(C)C\C=C\C(\C)=C\C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(\C)=C\C)c(C)c(=O)c1C
Show InChI InChI=1S/C31H46O9/c1-9-19(4)29(40-31-28(36)27(35)26(34)24(16-32)39-31)20(5)15-18(3)12-10-11-17(2)13-14-23-21(6)25(33)22(7)30(37-8)38-23/h9-10,12-15,17,20,24,26-29,31-32,34-36H,11,16H2,1-8H3/b12-10+,14-13+,18-15+,19-9+/t17?,20?,24-,26-,27+,28-,29?,31+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Drug Discovery Area, PharmaMar SAU , Avenida de los Reyes 1, 28770-Colmenar Viejo, Madrid, Spain.

Curated by ChEMBL


Assay Description
Inhibition of EGFR-induced AP1 activation in human HeLa cells preincubated for 1 hr prior to EGF stimulation by luciferase reporter gene assay


J Nat Prod 74: 1590-6 (2011)


Article DOI: 10.1021/np200196j
BindingDB Entry DOI: 10.7270/Q29C6XSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50350910
PNG
(CHEMBL1817964)
Show SMILES COc1oc(\C=C\C(C)C\C=C\C(\C)=C\C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(\C)=C\C)c(C)c(=O)c1C
Show InChI InChI=1S/C31H46O9/c1-9-19(4)29(40-31-28(36)27(35)26(34)24(16-32)39-31)20(5)15-18(3)12-10-11-17(2)13-14-23-21(6)25(33)22(7)30(37-8)38-23/h9-10,12-15,17,20,24,26-29,31-32,34-36H,11,16H2,1-8H3/b12-10+,14-13+,18-15+,19-9+/t17?,20?,24-,26-,27+,28-,29?,31+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Drug Discovery Area, PharmaMar SAU , Avenida de los Reyes 1, 28770-Colmenar Viejo, Madrid, Spain.

Curated by ChEMBL


Assay Description
Inhibition of EGFR-induced Beta-catenin activation in human HeLa cells preincubated for 1 hr prior to EGF stimulation by luciferase reporter gene ass...


J Nat Prod 74: 1590-6 (2011)


Article DOI: 10.1021/np200196j
BindingDB Entry DOI: 10.7270/Q29C6XSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50350911
PNG
(CHEMBL1817965)
Show SMILES COc1oc(\C=C\C(C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C)c(C)c(=O)c1C
Show InChI InChI=1S/C25H36O4/c1-9-18(4)23(26)19(5)15-17(3)12-10-11-16(2)13-14-22-20(6)24(27)21(7)25(28-8)29-22/h9-10,12-16,19,23,26H,11H2,1-8H3/b12-10+,14-13+,17-15+,18-9+/t16?,19-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Drug Discovery Area, PharmaMar SAU , Avenida de los Reyes 1, 28770-Colmenar Viejo, Madrid, Spain.

Curated by ChEMBL


Assay Description
Inhibition of EGFR-induced HIF1alpha activation in human HeLa cells preincubated for 1 hr prior to EGF stimulation by luciferase reporter gene assay


J Nat Prod 74: 1590-6 (2011)


Article DOI: 10.1021/np200196j
BindingDB Entry DOI: 10.7270/Q29C6XSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50350911
PNG
(CHEMBL1817965)
Show SMILES COc1oc(\C=C\C(C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C)c(C)c(=O)c1C
Show InChI InChI=1S/C25H36O4/c1-9-18(4)23(26)19(5)15-17(3)12-10-11-16(2)13-14-22-20(6)24(27)21(7)25(28-8)29-22/h9-10,12-16,19,23,26H,11H2,1-8H3/b12-10+,14-13+,17-15+,18-9+/t16?,19-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Drug Discovery Area, PharmaMar SAU , Avenida de los Reyes 1, 28770-Colmenar Viejo, Madrid, Spain.

Curated by ChEMBL


Assay Description
Inhibition of EGFR-induced Beta-catenin activation in human HeLa cells preincubated for 1 hr prior to EGF stimulation by luciferase reporter gene ass...


J Nat Prod 74: 1590-6 (2011)


Article DOI: 10.1021/np200196j
BindingDB Entry DOI: 10.7270/Q29C6XSZ
More data for this
Ligand-Target Pair