BindingDB logo
myBDB logout

PubMed code 28231433

Compile data set for download or QSAR
Found 101 hits of Enzyme Inhibition Constant Data   
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))		BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237418
PNG
(CHEMBL4061789)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237431
PNG
(CHEMBL4063424)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a<1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a<1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a<1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29NO4S/c25-15-21-4-2-12-24(21)14-18-6-8-19(9-7-18)16-28-22-5-1-3-20(13-22)17-29(26,27)23-10-11-23/h1,3,5-9,13,21,23,25H,2,4,10-12,14-17H2/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237418
PNG
(CHEMBL4061789)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237418
PNG
(CHEMBL4061789)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Effective concentration for human progesterone receptor in T47D human breast cancer cell

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237419
PNG
(CHEMBL4103414)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
Show InChI InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237431
PNG
(CHEMBL4063424)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237431
PNG
(CHEMBL4063424)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at human progesterone receptor in CV-1 cells.

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237436
PNG
(CHEMBL4086161)
Show SMILES CC(C)CCn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H33N3O/c1-18(2)12-14-28-19(3)26-24-11-10-22(15-25(24)28)21-8-6-20(7-9-21)16-27-13-4-5-23(27)17-29/h6-11,15,18,23,29H,4-5,12-14,16-17H2,1-3H3/t23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237426
PNG
(CHEMBL4091588)
Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C26H33N3O/c1-19-27-25-12-11-23(16-26(25)29(19)15-13-20-4-2-5-20)22-9-7-21(8-10-22)17-28-14-3-6-24(28)18-30/h7-12,16,20,24,30H,2-6,13-15,17-18H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Effective concentration for agonist activity towards human progesterone receptor (hPR) using the cotransfection assay in CV-1 cells

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237419
PNG
(CHEMBL4103414)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
Show InChI InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237418
PNG
(CHEMBL4061789)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237436
PNG
(CHEMBL4086161)
Show SMILES CC(C)CCn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H33N3O/c1-18(2)12-14-28-19(3)26-24-11-10-22(15-25(24)28)21-8-6-20(7-9-21)16-27-13-4-5-23(27)17-29/h6-11,15,18,23,29H,4-5,12-14,16-17H2,1-3H3/t23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237426
PNG
(CHEMBL4091588)
Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C26H33N3O/c1-19-27-25-12-11-23(16-26(25)29(19)15-13-20-4-2-5-20)22-9-7-21(8-10-22)17-28-14-3-6-24(28)18-30/h7-12,16,20,24,30H,2-6,13-15,17-18H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity against human melanocortin receptor hMC1R at 50% maximum cAMP accumulation

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237427
PNG
(CHEMBL4104070)
Show SMILES Cc1nc2ccc(cc2n1CC1CCCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C26H33N3O/c1-19-27-25-13-12-23(15-26(25)29(19)17-20-5-2-3-6-20)22-10-8-21(9-11-22)16-28-14-4-7-24(28)18-30/h8-13,15,20,24,30H,2-7,14,16-18H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29NO4S/c25-15-21-4-2-12-24(21)14-18-6-8-19(9-7-18)16-28-22-5-1-3-20(13-22)17-29(26,27)23-10-11-23/h1,3,5-9,13,21,23,25H,2,4,10-12,14-17H2/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237427
PNG
(CHEMBL4104070)
Show SMILES Cc1nc2ccc(cc2n1CC1CCCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C26H33N3O/c1-19-27-25-13-12-23(15-26(25)29(19)17-20-5-2-3-6-20)22-10-8-21(9-11-22)16-28-14-4-7-24(28)18-30/h8-13,15,20,24,30H,2-7,14,16-18H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237419
PNG
(CHEMBL4103414)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
Show InChI InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237437
PNG
(CHEMBL4077075)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Effective concentration for agonist activity towards human progesterone receptor (hPR) using the cotransfection assay in CV-1 cells

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237437
PNG
(CHEMBL4077075)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237431
PNG
(CHEMBL4063424)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29NO4S/c25-15-21-4-2-12-24(21)14-18-6-8-19(9-7-18)16-28-22-5-1-3-20(13-22)17-29(26,27)23-10-11-23/h1,3,5-9,13,21,23,25H,2,4,10-12,14-17H2/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 142n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H28N2O3/c29-18-24-9-5-15-28(24)17-20-11-13-21(14-12-20)19-31-25-10-4-8-23(16-25)27-26(30)22-6-2-1-3-7-22/h1-4,6-8,10-14,16,24,29H,5,9,15,17-19H2,(H,27,30)/t24-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29NO4S/c25-15-21-4-2-12-24(21)14-18-6-8-19(9-7-18)16-28-22-5-1-3-20(13-22)17-29(26,27)23-10-11-23/h1,3,5-9,13,21,23,25H,2,4,10-12,14-17H2/t21-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 164n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 164n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 173n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
Show InChI InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity against human melanocortin receptor hMC1R

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237428
PNG
(CHEMBL4093921)
Show SMILES Cc1nc2ccc(cc2n1Cc1ccccc1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C27H29N3O/c1-20-28-26-14-13-24(16-27(26)30(20)18-21-6-3-2-4-7-21)23-11-9-22(10-12-23)17-29-15-5-8-25(29)19-31/h2-4,6-7,9-14,16,25,31H,5,8,15,17-19H2,1H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237429
PNG
(CHEMBL4066355)
Show SMILES CC(C)Cn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C24H31N3O/c1-17(2)14-27-18(3)25-23-11-10-21(13-24(23)27)20-8-6-19(7-9-20)15-26-12-4-5-22(26)16-28/h6-11,13,17,22,28H,4-5,12,14-16H2,1-3H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 356n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237432
PNG
(CHEMBL4093845)
Show SMILES CS(=O)(=O)Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C21H27NO4S/c1-27(24,25)16-19-4-2-6-21(12-19)26-15-18-9-7-17(8-10-18)13-22-11-3-5-20(22)14-23/h2,4,6-10,12,20,23H,3,5,11,13-16H2,1H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 439n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237429
PNG
(CHEMBL4066355)
Show SMILES CC(C)Cn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C24H31N3O/c1-17(2)14-27-18(3)25-23-11-10-21(13-24(23)27)20-8-6-19(7-9-20)15-26-12-4-5-22(26)16-28/h6-11,13,17,22,28H,4-5,12,14-16H2,1-3H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237428
PNG
(CHEMBL4093921)
Show SMILES Cc1nc2ccc(cc2n1Cc1ccccc1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C27H29N3O/c1-20-28-26-14-13-24(16-27(26)30(20)18-21-6-3-2-4-7-21)23-11-9-22(10-12-23)17-29-15-5-8-25(29)19-31/h2-4,6-7,9-14,16,25,31H,5,8,15,17-19H2,1H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 443n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237418
PNG
(CHEMBL4061789)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 465n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237432
PNG
(CHEMBL4093845)
Show SMILES CS(=O)(=O)Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C21H27NO4S/c1-27(24,25)16-19-4-2-6-21(12-19)26-15-18-9-7-17(8-10-18)13-22-11-3-5-20(22)14-23/h2,4,6-10,12,20,23H,3,5,11,13-16H2,1H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 519n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 703n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H28N2O3/c29-18-24-9-5-15-28(24)17-20-11-13-21(14-12-20)19-31-25-10-4-8-23(16-25)27-26(30)22-6-2-1-3-7-22/h1-4,6-8,10-14,16,24,29H,5,9,15,17-19H2,(H,27,30)/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
Show InChI InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29NO4S/c25-15-21-4-2-12-24(21)14-18-6-8-19(9-7-18)16-28-22-5-1-3-20(13-22)17-29(26,27)23-10-11-23/h1,3,5-9,13,21,23,25H,2,4,10-12,14-17H2/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
Show InChI InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor activation in T47D human breast cancer cell.

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237434
PNG
(CHEMBL4067356)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H28N2O3/c29-18-24-9-5-15-28(24)17-20-11-13-21(14-12-20)19-31-25-10-4-8-23(16-25)27-26(30)22-6-2-1-3-7-22/h1-4,6-8,10-14,16,24,29H,5,9,15,17-19H2,(H,27,30)/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.67E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237434
PNG
(CHEMBL4067356)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237431
PNG
(CHEMBL4063424)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.23E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H28N2O3/c29-18-24-9-5-15-28(24)17-20-11-13-21(14-12-20)19-31-25-10-4-8-23(16-25)27-26(30)22-6-2-1-3-7-22/h1-4,6-8,10-14,16,24,29H,5,9,15,17-19H2,(H,27,30)/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>8.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237414
PNG
(CHEMBL4088607)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
Show InChI InChI=1S/C26H28N2O3/c29-18-24-9-5-15-28(24)17-20-11-13-21(14-12-20)19-31-25-10-4-8-23(16-25)27-26(30)22-6-2-1-3-7-22/h1-4,6-8,10-14,16,24,29H,5,9,15,17-19H2,(H,27,30)/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.82E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
Show InChI InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to S1PR3 (unknown origin)

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
Show InChI InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to S1PR2 (unknown origin)

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
Show InChI InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to S1PR5 (unknown origin)

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
Show InChI InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to S1PR1 (unknown origin)

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237434
PNG
(CHEMBL4067356)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237425
PNG
(CHEMBL4101628)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1
Show InChI InChI=1S/C22H20N2O3S/c1-16-9-18(14-28(25,26)20-5-3-2-4-6-20)11-19(10-16)27-13-17-7-8-21-22(12-17)24-15-23-21/h2-12,15H,13-14H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237414
PNG
(CHEMBL4088607)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237419
PNG
(CHEMBL4103414)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
Show InChI InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.51E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
Show InChI InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.96E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.26E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237425
PNG
(CHEMBL4101628)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1
Show InChI InChI=1S/C22H20N2O3S/c1-16-9-18(14-28(25,26)20-5-3-2-4-6-20)11-19(10-16)27-13-17-7-8-21-22(12-17)24-15-23-21/h2-12,15H,13-14H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237425
PNG
(CHEMBL4101628)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1
Show InChI InChI=1S/C22H20N2O3S/c1-16-9-18(14-28(25,26)20-5-3-2-4-6-20)11-19(10-16)27-13-17-7-8-21-22(12-17)24-15-23-21/h2-12,15H,13-14H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237415
PNG
(CHEMBL4064624)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237415
PNG
(CHEMBL4064624)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237415
PNG
(CHEMBL4064624)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237434
PNG
(CHEMBL4067356)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237414
PNG
(CHEMBL4088607)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237414
PNG
(CHEMBL4088607)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50237415
PNG
(CHEMBL4064624)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50237430
PNG
(CHEMBL4101485)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C24H29N3O/c1-18-25-23-11-10-21(15-24(23)27(18)17-22-5-4-14-28-22)20-8-6-19(7-9-20)16-26-12-2-3-13-26/h6-11,15,22H,2-5,12-14,16-17H2,1H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity against human melanocortin receptor hMC1R

J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%