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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 114302   
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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3


(Homo sapiens (Human))
BDBM114302
PNG
(MLS004342536 | N-[(2R,4aS,12aS)-2-[2-(ethylamino)-...)
Show SMILES CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5OCOc5c4)cc3C(=O)N2C)O1
Show InChI InChI=1S/C26H29N3O7/c1-3-27-24(30)12-17-6-7-19-23(36-17)13-33-20-9-5-16(11-18(20)26(32)29(19)2)28-25(31)15-4-8-21-22(10-15)35-14-34-21/h4-5,8-11,17,19,23H,3,6-7,12-14H2,1-2H3,(H,27,30)(H,28,31)/t17-,19+,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.51E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))
BDBM114302
PNG
(MLS004342536 | N-[(2R,4aS,12aS)-2-[2-(ethylamino)-...)
Show SMILES CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5OCOc5c4)cc3C(=O)N2C)O1
Show InChI InChI=1S/C26H29N3O7/c1-3-27-24(30)12-17-6-7-19-23(36-17)13-33-20-9-5-16(11-18(20)26(32)29(19)2)28-25(31)15-4-8-21-22(10-15)35-14-34-21/h4-5,8-11,17,19,23H,3,6-7,12-14H2,1-2H3,(H,27,30)(H,28,31)/t17-,19+,23-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair