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BDBM50329081 CHEMBL1270379::N2-(4,6-dimorpholinopyrimidin-2-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine

SMILES: CN(c1ccnc(Nc2nc(cc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12

InChI Key: InChIKey=CZFZHIWOGMRFJN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50329081   
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))
BDBM50329081
PNG
(CHEMBL1270379 | N2-(4,6-dimorpholinopyrimidin-2-yl...)
Show SMILES CN(c1ccnc(Nc2nc(cc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)20-5-6-25-23(27-20)30-24-28-21(33-7-11-35-12-8-33)15-22(29-24)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30)
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Similars

Article
PubMed
n/an/a 1.20E+4n/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))
BDBM50329081
PNG
(CHEMBL1270379 | N2-(4,6-dimorpholinopyrimidin-2-yl...)
Show SMILES CN(c1ccnc(Nc2nc(cc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)20-5-6-25-23(27-20)30-24-28-21(33-7-11-35-12-8-33)15-22(29-24)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 432n/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