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SMILES: CCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O

InChI Key: InChIKey=DAKJVLCDXHVRPL-NRFANRHFSA-N

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 = 241936   
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))
BDBM241936
PNG
(US9421177, VPC96077)
Show SMILES CCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O |r|
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-12-19-14-16-20(17-15-19)23(27)26-18-11-13-21(26)22(24)25-28/h14-17,21,28H,2-13,18H2,1H3,(H2,24,25)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
300 -9.25n/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


(Mus musculus (Mouse))
BDBM241936
PNG
(US9421177, VPC96077)
Show SMILES CCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O |r|
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-12-19-14-16-20(17-15-19)23(27)26-18-11-13-21(26)22(24)25-28/h14-17,21,28H,2-13,18H2,1H3,(H2,24,25)/t21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.00E+3 -8.08n/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