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Compile Data Set for Download or QSAR

Found 3 hits of ec50 data for polymerid = 50001579   
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 2


(Homo sapiens (Human))
BDBM50297824
PNG
(CHEMBL559058 | N-(2-methyl-5-(3-(4-methyl-1H-imida...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccno3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N5O3/c1-13-3-4-15(7-19(13)30-22(33)20-5-6-28-34-20)21(32)29-17-8-16(23(24,25)26)9-18(10-17)31-11-14(2)27-12-31/h3-12H,1-2H3,(H,29,32)(H,30,33)
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n/an/an/an/a 40n/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of EphB2


Bioorg Med Chem Lett 19: 4467-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.029
BindingDB Entry DOI: 10.7270/Q2V69JN0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Homo sapiens (Human))
BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of EphB2


Bioorg Med Chem Lett 19: 4467-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.029
BindingDB Entry DOI: 10.7270/Q2V69JN0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Homo sapiens (Human))
BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
PDB
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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of ephrinB1-induced autophosphorylation of EphB2 expressed in human U87 cells after 1 hr by western blot analysis


Bioorg Med Chem Lett 19: 4467-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.029
BindingDB Entry DOI: 10.7270/Q2V69JN0
More data for this
Ligand-Target Pair