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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 4' and Ligand = 'BDBM44488'   
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 4


(Mus musculus)
BDBM44488
PNG
((5Z)-3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-...)
Show SMILES COc1cc(C=C2SC(=S)N(Nc3ncc(cc3Cl)C(F)(F)F)C2=O)cc(OC)c1OC |w:5.4|
Show InChI InChI=1S/C19H15ClF3N3O4S2/c1-28-12-4-9(5-13(29-2)15(12)30-3)6-14-17(27)26(18(31)32-14)25-16-11(20)7-10(8-24-16)19(21,22)23/h4-8H,1-3H3,(H,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.57E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4


(Mus musculus)
BDBM44488
PNG
((5Z)-3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-...)
Show SMILES COc1cc(C=C2SC(=S)N(Nc3ncc(cc3Cl)C(F)(F)F)C2=O)cc(OC)c1OC |w:5.4|
Show InChI InChI=1S/C19H15ClF3N3O4S2/c1-28-12-4-9(5-13(29-2)15(12)30-3)6-14-17(27)26(18(31)32-14)25-16-11(20)7-10(8-24-16)19(21,22)23/h4-8H,1-3H3,(H,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair