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BDBM174064 US9688668, 28

SMILES: CCCCCCCCCCCc1cc(ccc1C)-c1nnc(o1)C1(CC1)C(N)=N

InChI Key: InChIKey=ZYNRNLSGHJRGNP-UHFFFAOYSA-N

Data: 2 KI

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 = 174064   
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
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM174064
PNG
(US9688668, 28)
Show SMILES CCCCCCCCCCCc1cc(ccc1C)-c1nnc(o1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O/c1-3-4-5-6-7-8-9-10-11-12-19-17-20(14-13-18(19)2)21-27-28-23(29-21)24(15-16-24)22(25)26/h13-14,17H,3-12,15-16H2,1-2H3,(H3,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1.00E+3n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...


US Patent US9688668 (2017)


BindingDB Entry DOI: 10.7270/Q29K48C1
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM174064
PNG
(US9688668, 28)
Show SMILES CCCCCCCCCCCc1cc(ccc1C)-c1nnc(o1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O/c1-3-4-5-6-7-8-9-10-11-12-19-17-20(14-13-18(19)2)21-27-28-23(29-21)24(15-16-24)22(25)26/h13-14,17H,3-12,15-16H2,1-2H3,(H3,25,26)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.50E+4n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...


US Patent US9688668 (2017)


BindingDB Entry DOI: 10.7270/Q29K48C1
More data for this
Ligand-Target Pair