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SMILES: CCOC(=O)C1=C(CSc2nc3cc(ccc3[nH]2)[N+]([O-])=O)N(C)C(=O)NC1c1ccccc1

InChI Key: InChIKey=SWCCNBKDIDJPGU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50468598   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50468598
PNG
(CHEMBL4286023)
Show SMILES CCOC(=O)C1=C(CSc2nc3cc(ccc3[nH]2)[N+]([O-])=O)N(C)C(=O)NC1c1ccccc1 |c:5|
Show InChI InChI=1S/C22H21N5O5S/c1-3-32-20(28)18-17(26(2)22(29)25-19(18)13-7-5-4-6-8-13)12-33-21-23-15-10-9-14(27(30)31)11-16(15)24-21/h4-11,19H,3,12H2,1-2H3,(H,23,24)(H,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) incubated for 1 hr by ELISA


Eur J Med Chem 156: 304-315 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.004
BindingDB Entry DOI: 10.7270/Q2J9692K
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50468598
PNG
(CHEMBL4286023)
Show SMILES CCOC(=O)C1=C(CSc2nc3cc(ccc3[nH]2)[N+]([O-])=O)N(C)C(=O)NC1c1ccccc1 |c:5|
Show InChI InChI=1S/C22H21N5O5S/c1-3-32-20(28)18-17(26(2)22(29)25-19(18)13-7-5-4-6-8-13)12-33-21-23-15-10-9-14(27(30)31)11-16(15)24-21/h4-11,19H,3,12H2,1-2H3,(H,23,24)(H,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR-2 incubated for 2.5 hrs by ELISA


Eur J Med Chem 156: 304-315 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.004
BindingDB Entry DOI: 10.7270/Q2J9692K
More data for this
Ligand-Target Pair