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SMILES: Cl.[H][C@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1

InChI Key: InChIKey=FBUHDZVQHMKZOF-ROUUACIJSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50077144   
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 2


(Homo sapiens (Human))
BDBM50077144
PNG
(CHEMBL3416835)
Show SMILES Cl.[H][C@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r|
Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-17(27)13-14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)


Article DOI: 10.1021/jm501760d
BindingDB Entry DOI: 10.7270/Q2PK0HV3
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50077144
PNG
(CHEMBL3416835)
Show SMILES Cl.[H][C@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r|
Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-17(27)13-14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...


J Med Chem 58: 1879-99 (2015)


Article DOI: 10.1021/jm501760d
BindingDB Entry DOI: 10.7270/Q2PK0HV3
More data for this
Ligand-Target Pair