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BDBM241925 US9421177, VPC14a1058

SMILES: N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1

InChI Key: InChIKey=ZTCVGFXURNTWPC-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 = 241925   
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 (SPHK1)


(Homo sapiens (Human))
BDBM241925
PNG
(US9421177, VPC14a1058)
Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1
Show InChI InChI=1S/C21H39N3O3/c22-19(24-26)21(13-14-21)20(25)23-15-9-5-3-1-2-4-6-10-16-27-17-18-11-7-8-12-18/h18,26H,1-17H2,(H2,22,24)(H,23,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
450 -9.00n/an/an/an/an/an/a37



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JZ4
More data for this
Ligand-Target Pair
Sphingosine kinase 2 (SPHK2)


(Mus musculus (Mouse))
BDBM241925
PNG
(US9421177, VPC14a1058)
Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1
Show InChI InChI=1S/C21H39N3O3/c22-19(24-26)21(13-14-21)20(25)23-15-9-5-3-1-2-4-6-10-16-27-17-18-11-7-8-12-18/h18,26H,1-17H2,(H2,22,24)(H,23,25)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.50E+4 -6.53n/an/an/an/an/an/a37



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JZ4
More data for this
Ligand-Target Pair