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BDBM50340568 CHEMBL1762533::N2-(3,5-dimorpholinophenyl)-N4-(4-methoxypyridin-2-yl)-N4-methylpyrimidine-2,4-diamine

SMILES: COc1ccnc(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1

InChI Key: InChIKey=DNEDXZCYNMEXKI-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50340568   
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))
BDBM50340568
PNG
(CHEMBL1762533 | N2-(3,5-dimorpholinophenyl)-N4-(4-...)
Show SMILES COc1ccnc(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
Show InChI InChI=1S/C25H31N7O3/c1-30(24-18-22(33-2)3-5-26-24)23-4-6-27-25(29-23)28-19-15-20(31-7-11-34-12-8-31)17-21(16-19)32-9-13-35-14-10-32/h3-6,15-18H,7-14H2,1-2H3,(H,27,28,29)
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n/an/a 41n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 21: 2207-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.009
BindingDB Entry DOI: 10.7270/Q2PK0GGR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50340568
PNG
(CHEMBL1762533 | N2-(3,5-dimorpholinophenyl)-N4-(4-...)
Show SMILES COc1ccnc(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
Show InChI InChI=1S/C25H31N7O3/c1-30(24-18-22(33-2)3-5-26-24)23-4-6-27-25(29-23)28-19-15-20(31-7-11-34-12-8-31)17-21(16-19)32-9-13-35-14-10-32/h3-6,15-18H,7-14H2,1-2H3,(H,27,28,29)
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PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition FGFR1


Bioorg Med Chem Lett 21: 2207-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.009
BindingDB Entry DOI: 10.7270/Q2PK0GGR
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50340568
PNG
(CHEMBL1762533 | N2-(3,5-dimorpholinophenyl)-N4-(4-...)
Show SMILES COc1ccnc(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
Show InChI InChI=1S/C25H31N7O3/c1-30(24-18-22(33-2)3-5-26-24)23-4-6-27-25(29-23)28-19-15-20(31-7-11-34-12-8-31)17-21(16-19)32-9-13-35-14-10-32/h3-6,15-18H,7-14H2,1-2H3,(H,27,28,29)
PDB
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Reactome pathway
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of human EPHB4


Bioorg Med Chem Lett 21: 2207-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.009
BindingDB Entry DOI: 10.7270/Q2PK0GGR
More data for this
Ligand-Target Pair