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BDBM223480 US9320734, PtdIns(3,4,5)trisphosphate

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OC1[C@H](O)[C@H](OP([O-])([O-])=O)C(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC

InChI Key: InChIKey=ZSZXYWFCIKKZBT-MPKHYPPGSA-G

Data: 1 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 223480   
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
RAC-alpha serine/threonine-protein kinase [1-123]


(Homo sapiens (Human))
BDBM223480
PNG
(US9320734, PtdIns(3,4,5)trisphosphate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OC1[C@H](O)[C@H](OP([O-])([O-])=O)C(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/p-7/t33?,36-,37-,38?,39-,40+,41?/m0/s1
PDB

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
260n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [1-123]


(Homo sapiens (Human))
BDBM223480
PNG
(US9320734, PtdIns(3,4,5)trisphosphate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OC1[C@H](O)[C@H](OP([O-])([O-])=O)C(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/p-7/t33?,36-,37-,38?,39-,40+,41?/m0/s1
PDB

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/a 3.08E+3n/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in T...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair