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SMILES: Cc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12

InChI Key: InChIKey=KOZGIAICDBAKOH-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 = 50329077   
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))
BDBM50329077
PNG
(CHEMBL1270183 | N2-(3,5-dimorpholinophenyl)-N4-(3-...)
Show SMILES Cc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
Show InChI InChI=1S/C26H30N8O2/c1-18-25-22(3-2-4-23(25)32-31-18)29-24-5-6-27-26(30-24)28-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,31,32)(H2,27,28,29,30)
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PC cid
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Article
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n/an/a 513n/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))
BDBM50329077
PNG
(CHEMBL1270183 | N2-(3,5-dimorpholinophenyl)-N4-(3-...)
Show SMILES Cc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
Show InChI InChI=1S/C26H30N8O2/c1-18-25-22(3-2-4-23(25)32-31-18)29-24-5-6-27-26(30-24)28-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,31,32)(H2,27,28,29,30)
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 67n/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