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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 = 'BDBM44531'   
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)
BDBM44531
PNG
(5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methy...)
Show SMILES [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2cc(-[#6])n(-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c2-[#6])-[#6]-1=O
Show InChI InChI=1S/C19H25N3O2S/c1-12-10-14(13(2)22(12)15-8-6-5-7-9-15)11-16-17(23)20(3)19(25)21(4)18(16)24/h10-11,15H,5-9H2,1-4H3
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.14E+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)
BDBM44531
PNG
(5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methy...)
Show SMILES [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2cc(-[#6])n(-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c2-[#6])-[#6]-1=O
Show InChI InChI=1S/C19H25N3O2S/c1-12-10-14(13(2)22(12)15-8-6-5-7-9-15)11-16-17(23)20(3)19(25)21(4)18(16)24/h10-11,15H,5-9H2,1-4H3
PDB
MMDB

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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