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BDBM50293244 CHEMBL523744::N-(3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimidin-2-ylamino)-5-morpholinophenyl)methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1

InChI Key: InChIKey=BPIJWWAOPXZGJB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50293244   
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))
BDBM50293244
PNG
(CHEMBL523744 | N-(3-(4-(5-chlorobenzo[d][1,3]dioxo...)
Show SMILES CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C22H23ClN6O5S/c1-35(30,31)28-15-10-14(11-16(12-15)29-6-8-32-9-7-29)25-22-24-5-4-19(27-22)26-20-17(23)2-3-18-21(20)34-13-33-18/h2-5,10-12,28H,6-9,13H2,1H3,(H2,24,25,26,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Myc-His-tagged EphB4 expressed in CHOK1 cells assessed as phosphorylation by ELISA


Bioorg Med Chem Lett 18: 5717-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50293244
PNG
(CHEMBL523744 | N-(3-(4-(5-chlorobenzo[d][1,3]dioxo...)
Show SMILES CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C22H23ClN6O5S/c1-35(30,31)28-15-10-14(11-16(12-15)29-6-8-32-9-7-29)25-22-24-5-4-19(27-22)26-20-17(23)2-3-18-21(20)34-13-33-18/h2-5,10-12,28H,6-9,13H2,1H3,(H2,24,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4


Bioorg Med Chem Lett 18: 5717-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ
More data for this
Ligand-Target Pair