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SMILES: CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CCO)c2c3OCOc3ccc2Cl)c1

InChI Key: InChIKey=VWLBBUUEBWHUIC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50329064   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50329064
PNG
(2-((5-chlorobenzo[d][1,3]dioxol-4-yl)(2-(3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CCO)c2c3OCOc3ccc2Cl)c1
Show InChI InChI=1S/C20H19ClN4O5S/c1-31(27,28)14-4-2-3-13(11-14)23-20-22-8-7-17(24-20)25(9-10-26)18-15(21)5-6-16-19(18)30-12-29-16/h2-8,11,26H,9-10,12H2,1H3,(H,22,23,24)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 187n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
BindingDB Entry DOI: 10.7270/Q2QR4XCB
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50329064
PNG
(2-((5-chlorobenzo[d][1,3]dioxol-4-yl)(2-(3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CCO)c2c3OCOc3ccc2Cl)c1
Show InChI InChI=1S/C20H19ClN4O5S/c1-31(27,28)14-4-2-3-13(11-14)23-20-22-8-7-17(24-20)25(9-10-26)18-15(21)5-6-16-19(18)30-12-29-16/h2-8,11,26H,9-10,12H2,1H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 121n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
BindingDB Entry DOI: 10.7270/Q2QR4XCB
More data for this
Ligand-Target Pair