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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 2' and Ligand = 'BDBM50428061'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50428061
PNG
(CHEMBL2323554)
Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C33H49NO4/c1-21(9-14-30(36)34-29(31(37)38)19-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-20-24(35)15-17-32(23,2)28(25)16-18-33(26,27)3/h4-8,21,23-29,35H,9-20H2,1-3H3,(H,34,36)(H,37,38)/t21-,23-,24-,25+,26-,27+,28+,29+,32+,33-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Antagonist activity at EphA2 receptor in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated cell retraction pretreated for 15 mins by ...


J Med Chem 56: 2936-47 (2013)


Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50428061
PNG
(CHEMBL2323554)
Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C33H49NO4/c1-21(9-14-30(36)34-29(31(37)38)19-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-20-24(35)15-17-32(23,2)28(25)16-18-33(26,27)3/h4-8,21,23-29,35H,9-20H2,1-3H3,(H,34,36)(H,37,38)/t21-,23-,24-,25+,26-,27+,28+,29+,32+,33-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Antagonist activity at EphA2 in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated EphA2 phosphorylation pretreated for 20 mins by san...


J Med Chem 56: 2936-47 (2013)


Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H
More data for this
Ligand-Target Pair