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SMILES: CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl

InChI Key: InChIKey=VPLVGQXSWQPIQO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50329061   
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))
BDBM50329061
PNG
(CHEMBL1270976 | N4-(5-chlorobenzo[d][1,3]dioxol-4-...)
Show SMILES CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
Show InChI InChI=1S/C19H17ClN4O4S/c1-24(17-14(20)6-7-15-18(17)28-11-27-15)16-8-9-21-19(23-16)22-12-4-3-5-13(10-12)29(2,25)26/h3-10H,11H2,1-2H3,(H,21,22,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 42n/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))
BDBM50329061
PNG
(CHEMBL1270976 | N4-(5-chlorobenzo[d][1,3]dioxol-4-...)
Show SMILES CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
Show InChI InChI=1S/C19H17ClN4O4S/c1-24(17-14(20)6-7-15-18(17)28-11-27-15)16-8-9-21-19(23-16)22-12-4-3-5-13(10-12)29(2,25)26/h3-10H,11H2,1-2H3,(H,21,22,23)
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 36n/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