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BDBM50316791 2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-phenyl]pentyl}-1H-indole-3-yl}ethanamine hydrochloride::CHEMBL1094194

SMILES: CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1

InChI Key: InChIKey=KTYVAFOTAYILKZ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 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))
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
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PC cid
PC sid
UniChem

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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))
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
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GoogleScholar
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PC cid
PC sid
UniChem

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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
Vascular endothelial growth factor receptor 2


(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
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PC sid
UniChem

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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
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
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PC cid
PC sid
UniChem

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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