BindingDB logo
myBDB logout

4 similar compounds to monomer 50316779

Compile data set for download or QSAR
Wt: 588.8
BDBM50316778
Wt: 442.5
BDBM50316787
Wt: 472.6
BDBM50316790
Wt: 488.6
BDBM50316791

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50316778,50316787,50316790,50316791   
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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50316787
PNG
(2-[5-(4-Hydroxyphenethoxy)-1-(5-phenylpentyl)-1Hin...)
Show SMILES NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12
Show InChI InChI=1S/C29H34N2O2/c30-18-16-25-22-31(19-6-2-5-9-23-7-3-1-4-8-23)29-15-14-27(21-28(25)29)33-20-17-24-10-12-26(32)13-11-24/h1,3-4,7-8,10-15,21-22,32H,2,5-6,9,16-20,30H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50316791
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c1-35-28-13-8-23(9-14-28)5-3-2-4-19-32-22-25(16-18-31)29-21-27(12-15-30(29)32)34-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50316778
PNG
(CHEMBL1099339 | tert-Butyl-2-{5-(4-hydroxyphenetho...)
Show SMILES CSc1ccc(CCCCCn2cc(CCNC(=O)OC(C)(C)C)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C35H44N2O4S/c1-35(2,3)41-34(39)36-21-19-28-25-37(22-7-5-6-8-26-11-16-31(42-4)17-12-26)33-18-15-30(24-32(28)33)40-23-20-27-9-13-29(38)14-10-27/h9-18,24-25,38H,5-8,19-23H2,1-4H3,(H,36,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50316791
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c1-35-28-13-8-23(9-14-28)5-3-2-4-19-32-22-25(16-18-31)29-21-27(12-15-30(29)32)34-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50316778
PNG
(CHEMBL1099339 | tert-Butyl-2-{5-(4-hydroxyphenetho...)
Show SMILES CSc1ccc(CCCCCn2cc(CCNC(=O)OC(C)(C)C)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C35H44N2O4S/c1-35(2,3)41-34(39)36-21-19-28-25-37(22-7-5-6-8-26-11-16-31(42-4)17-12-26)33-18-15-30(24-32(28)33)40-23-20-27-9-13-29(38)14-10-27/h9-18,24-25,38H,5-8,19-23H2,1-4H3,(H,36,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50316787
PNG
(2-[5-(4-Hydroxyphenethoxy)-1-(5-phenylpentyl)-1Hin...)
Show SMILES NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12
Show InChI InChI=1S/C29H34N2O2/c30-18-16-25-22-31(19-6-2-5-9-23-7-3-1-4-8-23)29-15-14-27(21-28(25)29)33-20-17-24-10-12-26(32)13-11-24/h1,3-4,7-8,10-15,21-22,32H,2,5-6,9,16-20,30H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.96E+3n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50316790
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-[5-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O3/c1-34-27-12-8-23(9-13-27)5-3-2-4-19-32-22-25(16-18-31)29-21-28(14-15-30(29)32)35-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50316791
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c1-35-28-13-8-23(9-14-28)5-3-2-4-19-32-22-25(16-18-31)29-21-27(12-15-30(29)32)34-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50316778
PNG
(CHEMBL1099339 | tert-Butyl-2-{5-(4-hydroxyphenetho...)
Show SMILES CSc1ccc(CCCCCn2cc(CCNC(=O)OC(C)(C)C)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C35H44N2O4S/c1-35(2,3)41-34(39)36-21-19-28-25-37(22-7-5-6-8-26-11-16-31(42-4)17-12-26)33-18-15-30(24-32(28)33)40-23-20-27-9-13-29(38)14-10-27/h9-18,24-25,38H,5-8,19-23H2,1-4H3,(H,36,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50316787
PNG
(2-[5-(4-Hydroxyphenethoxy)-1-(5-phenylpentyl)-1Hin...)
Show SMILES NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12
Show InChI InChI=1S/C29H34N2O2/c30-18-16-25-22-31(19-6-2-5-9-23-7-3-1-4-8-23)29-15-14-27(21-28(25)29)33-20-17-24-10-12-26(32)13-11-24/h1,3-4,7-8,10-15,21-22,32H,2,5-6,9,16-20,30H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.83E+3n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50316790
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-[5-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O3/c1-34-27-12-8-23(9-13-27)5-3-2-4-19-32-22-25(16-18-31)29-21-28(14-15-30(29)32)35-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50316791
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c1-35-28-13-8-23(9-14-28)5-3-2-4-19-32-22-25(16-18-31)29-21-27(12-15-30(29)32)34-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50316778
PNG
(CHEMBL1099339 | tert-Butyl-2-{5-(4-hydroxyphenetho...)
Show SMILES CSc1ccc(CCCCCn2cc(CCNC(=O)OC(C)(C)C)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C35H44N2O4S/c1-35(2,3)41-34(39)36-21-19-28-25-37(22-7-5-6-8-26-11-16-31(42-4)17-12-26)33-18-15-30(24-32(28)33)40-23-20-27-9-13-29(38)14-10-27/h9-18,24-25,38H,5-8,19-23H2,1-4H3,(H,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50316787
PNG
(2-[5-(4-Hydroxyphenethoxy)-1-(5-phenylpentyl)-1Hin...)
Show SMILES NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12
Show InChI InChI=1S/C29H34N2O2/c30-18-16-25-22-31(19-6-2-5-9-23-7-3-1-4-8-23)29-15-14-27(21-28(25)29)33-20-17-24-10-12-26(32)13-11-24/h1,3-4,7-8,10-15,21-22,32H,2,5-6,9,16-20,30H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50316790
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-[5-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O3/c1-34-27-12-8-23(9-13-27)5-3-2-4-19-32-22-25(16-18-31)29-21-28(14-15-30(29)32)35-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50316790
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-[5-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O3/c1-34-27-12-8-23(9-13-27)5-3-2-4-19-32-22-25(16-18-31)29-21-28(14-15-30(29)32)35-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair