BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'field' and Initial = 'sd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175282
PNG
(CHEMBL3809146)
Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(29-28-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343835
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
47n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175281
PNG
(CHEMBL3809554)
Show SMILES Cl.CCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C23H34N4O.ClH/c1-2-3-4-5-6-7-8-9-10-12-18-13-11-14-19(17-18)20-26-22(28-27-20)23(15-16-23)21(24)25;/h11,13-14,17H,2-10,12,15-16H2,1H3,(H3,24,25);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343831
PNG
((S)-1-(4-(7-(Cyclohexylmethoxy)heptyl)benzoyl)pyrr...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1 |r|
Show InChI InChI=1S/C26H41N3O2/c27-25(28)24-13-9-18-29(24)26(30)23-16-14-21(15-17-23)10-5-2-1-3-8-19-31-20-22-11-6-4-7-12-22/h14-17,22,24H,1-13,18-20H2,(H3,27,28)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343827
PNG
(CHEMBL1774569 | N-(1-Carbamimidoylcyclopropyl)-11-...)
Show SMILES NC(=N)C1(CC1)NC(=O)CCCCCCCCCCOCC1CCCCC1
Show InChI InChI=1S/C22H41N3O2/c23-21(24)22(15-16-22)25-20(26)14-10-5-3-1-2-4-6-11-17-27-18-19-12-8-7-9-13-19/h19H,1-18H2,(H3,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
95n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343832
PNG
((S)-1-(4-(9-cyclohexylnonyl)benzoyl)pyrrolidine-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1 |r|
Show InChI InChI=1S/C27H43N3O/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22/h17-20,22,25H,1-16,21H2,(H3,28,29)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
99n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175280
PNG
(CHEMBL3809162)
Show SMILES Cl.CCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-11-17-12-10-13-18(16-17)19-25-21(27-26-19)22(14-15-22)20(23)24;/h10,12-13,16H,2-9,11,14-15H2,1H3,(H3,23,24);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343821
PNG
(1-Carbamimidoyl-N-(10-(cyclohexylmethoxy)decyl)cyc...)
Show SMILES NC(=N)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCCC1
Show InChI InChI=1S/C22H41N3O2/c23-20(24)22(14-15-22)21(26)25-16-10-5-3-1-2-4-6-11-17-27-18-19-12-8-7-9-13-19/h19H,1-18H2,(H3,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343836
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)thiazol-2...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(cs1)-c1cccc(CCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H34N4OS/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343829
PNG
((S)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1C(N)=N |r|
Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343833
PNG
((S)-1-(11-(Cyclohexylmethoxy)undecanoyl)pyrrolidin...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)CCCCCCCCCCOCC1CCCCC1 |r|
Show InChI InChI=1S/C23H43N3O2/c24-23(25)21-15-12-17-26(21)22(27)16-10-5-3-1-2-4-6-11-18-28-19-20-13-8-7-9-14-20/h20-21H,1-19H2,(H3,24,25)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343823
PNG
(CHEMBL1774565 | N-(1-Carbamimidoylcyclopropyl)-4-(...)
Show SMILES NC(=N)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O2/c26-24(27)25(16-17-25)28-23(29)22-14-12-20(13-15-22)9-5-2-1-3-8-18-30-19-21-10-6-4-7-11-21/h12-15,21H,1-11,16-19H2,(H3,26,27)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343824
PNG
(CHEMBL1774566 | N-(1-Carbamimidoylcyclopropyl)-4-(...)
Show SMILES NC(=N)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c25-23(26)24(15-16-24)27-22(28)21-13-11-19(12-14-21)8-4-2-1-3-7-17-29-18-20-9-5-6-10-20/h11-14,20H,1-10,15-18H2,(H3,25,26)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
170n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175287
PNG
(CHEMBL3810270)
Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1nnc(o1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-28-23(29-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343818
PNG
(1-Carbamimidoyl-N-(4-(7-(cyclohexylmethoxy)heptyl)...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O2/c26-23(27)25(16-17-25)24(29)28-22-14-12-20(13-15-22)9-5-2-1-3-8-18-30-19-21-10-6-4-7-11-21/h12-15,21H,1-11,16-19H2,(H3,26,27)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175276
PNG
(CHEMBL3809326)
Show SMILES Cl.CCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C23H34N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)20-26-22(28-27-20)23(16-17-23)21(24)25;/h12-15H,2-11,16-17H2,1H3,(H3,24,25);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
260n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175277
PNG
(CHEMBL3809675)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-23(29-28-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343817
PNG
(1-Carbamimidoyl-N-(4-(6-(cyclohexylmethoxy)hexyl)p...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c25-22(26)24(15-16-24)23(28)27-21-13-11-19(12-14-21)8-4-1-2-7-17-29-18-20-9-5-3-6-10-20/h11-14,20H,1-10,15-18H2,(H3,25,26)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
390n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175285
PNG
(CHEMBL3809605)
Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1nc(no1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(28-29-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
400n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175275
PNG
(CHEMBL3809598)
Show SMILES Cl.CCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19-25-21(27-26-19)22(15-16-22)20(23)24;/h11-14H,2-10,15-16H2,1H3,(H3,23,24);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
440n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343822
PNG
(1-carbamimidoyl-N-(10-(cyclopentylmethoxy)decyl)cy...)
Show SMILES NC(=N)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1
Show InChI InChI=1S/C21H39N3O2/c22-19(23)21(13-14-21)20(25)24-15-9-5-3-1-2-4-6-10-16-26-17-18-11-7-8-12-18/h18H,1-17H2,(H3,22,23)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
450n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343815
PNG
(1-Carbamimidoyl-N-(4-(9-phenylnonyl)phenyl)cyclopr...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H35N3O/c27-24(28)26(19-20-26)25(30)29-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18H,1-5,7-8,11,14,19-20H2,(H3,27,28)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343819
PNG
(1-Carbamimidoyl-N-(4-(8-(cyclohexylmethoxy)octyl)p...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C26H41N3O2/c27-24(28)26(17-18-26)25(30)29-23-15-13-21(14-16-23)10-6-3-1-2-4-9-19-31-20-22-11-7-5-8-12-22/h13-16,22H,1-12,17-20H2,(H3,27,28)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
800n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175283
PNG
(CHEMBL3809544)
Show SMILES Cl.CCCCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C25H38N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-20-15-13-16-21(19-20)22-28-24(30-29-22)25(17-18-25)23(26)27;/h13,15-16,19H,2-12,14,17-18H2,1H3,(H3,26,27);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
980n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50175286
PNG
(CHEMBL3809791)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1nnc(o1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-28-23(29-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343816
PNG
(1-carbamimidoyl-N-(4-(8-phenyloctyl)phenyl)cyclopr...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O/c26-23(27)25(18-19-25)24(29)28-22-16-14-21(15-17-22)13-7-4-2-1-3-6-10-20-11-8-5-9-12-20/h5,8-9,11-12,14-17H,1-4,6-7,10,13,18-19H2,(H3,26,27)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343825
PNG
(4-(7-Butoxyheptyl)-N-(1-carbamimidoylcyclopropyl)b...)
Show SMILES CCCCOCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C22H35N3O2/c1-2-3-16-27-17-8-6-4-5-7-9-18-10-12-19(13-11-18)20(26)25-22(14-15-22)21(23)24/h10-13H,2-9,14-17H2,1H3,(H3,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50299323
PNG
((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r|
Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50299323
PNG
((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r|
Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of SPHK1


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50343829
PNG
((S)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1C(N)=N |r|
Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)/t22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343820
PNG
(CHEMBL1774562 | N-(4-(7-((Adamantan-1-ylmethoxy)he...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C29H43N3O2/c30-26(31)29(11-12-29)27(33)32-25-9-7-21(8-10-25)6-4-2-1-3-5-13-34-20-28-17-22-14-23(18-28)16-24(15-22)19-28/h7-10,22-24H,1-6,11-20H2,(H3,30,31)(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343828
PNG
(CHEMBL1774570 | N-(1-Carbamimidoylcyclobutyl)-4-do...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CCC1)C(N)=N
Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)22(28)27-24(23(25)26)18-12-19-24/h14-17H,2-13,18-19H2,1H3,(H3,25,26)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175286
PNG
(CHEMBL3809791)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1nnc(o1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-28-23(29-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343834
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)-1H-imida...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(c[nH]1)-c1cccc(CCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H35N5O/c30-27(31)26-10-5-17-34(26)29(35)23-15-13-22(14-16-23)28-32-19-25(33-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)(H,32,33)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175278
PNG
(CHEMBL3808979)
Show SMILES Cl.CCCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C25H38N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)22-28-24(30-29-22)25(18-19-25)23(26)27;/h14-17H,2-13,18-19H2,1H3,(H3,26,27);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175284
PNG
(CHEMBL3808554)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1nc(no1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-23(28-29-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50343831
PNG
((S)-1-(4-(7-(Cyclohexylmethoxy)heptyl)benzoyl)pyrr...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1 |r|
Show InChI InChI=1S/C26H41N3O2/c27-25(28)24-13-9-18-29(24)26(30)23-16-14-21(15-17-23)10-5-2-1-3-8-19-31-20-22-11-6-4-7-12-22/h14-17,22,24H,1-13,18-20H2,(H3,27,28)/t24-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50175284
PNG
(CHEMBL3808554)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1nc(no1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-23(28-29-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343826
PNG
(CHEMBL1774568 | N-(1-carbamimidoylcyclopropyl)-4-(...)
Show SMILES CCCCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-10-17-27-19-13-11-18(12-14-19)20(26)25-22(15-16-22)21(23)24/h11-14H,2-10,15-17H2,1H3,(H3,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50343835
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175279
PNG
(CHEMBL3809710)
Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C23H37N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21(27)26-23(16-17-23)22(24)25;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,24,25)(H,26,27);1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50343820
PNG
(CHEMBL1774562 | N-(4-(7-((Adamantan-1-ylmethoxy)he...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C29H43N3O2/c30-26(31)29(11-12-29)27(33)32-25-9-7-21(8-10-25)6-4-2-1-3-5-13-34-20-28-17-22-14-23(18-28)16-24(15-22)19-28/h7-10,22-24H,1-6,11-20H2,(H3,30,31)(H,32,33)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343814
PNG
(CHEMBL1774556 | N-(4-(7-(Benzyloxy)heptyl)phenyl)-...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCc2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O2/c26-23(27)25(16-17-25)24(29)28-22-14-12-20(13-15-22)9-5-2-1-3-8-18-30-19-21-10-6-4-7-11-21/h4,6-7,10-15H,1-3,5,8-9,16-19H2,(H3,26,27)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50343830
PNG
((R)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@@H]1C(N)=N |r|
Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50343828
PNG
(CHEMBL1774570 | N-(1-Carbamimidoylcyclobutyl)-4-do...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CCC1)C(N)=N
Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)22(28)27-24(23(25)26)18-12-19-24/h14-17H,2-13,18-19H2,1H3,(H3,25,26)(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50343832
PNG
((S)-1-(4-(9-cyclohexylnonyl)benzoyl)pyrrolidine-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1 |r|
Show InChI InChI=1S/C27H43N3O/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22/h17-20,22,25H,1-16,21H2,(H3,28,29)/t25-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50343812
PNG
(1-Carbamimidoyl-N-hexadecylcyclopropanecarboxamide...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)C1(CC1)C(N)=N
Show InChI InChI=1S/C21H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(25)21(16-17-21)19(22)23/h2-18H2,1H3,(H3,22,23)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50175277
PNG
(CHEMBL3809675)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-23(29-28-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50343836
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)thiazol-2...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(cs1)-c1cccc(CCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H34N4OS/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


J Med Chem 54: 3524-48 (2011)


Article DOI: 10.1021/jm2001053
BindingDB Entry DOI: 10.7270/Q21V5F9V
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50175275
PNG
(CHEMBL3809598)
Show SMILES Cl.CCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19-25-21(27-26-19)22(15-16-22)20(23)24;/h11-14H,2-10,15-16H2,1H3,(H3,23,24);1H
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 85 total )  |  Next  |  Last  >>
Jump to: