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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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|
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n/an/a 0.170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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=1/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-/s2
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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|
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
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n/an/a<1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
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n/an/a<1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237435
PNG
(CHEMBL4066270)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
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n/an/a<1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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|
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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|
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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=1/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-/s2
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Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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=1/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-/s2
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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237419
PNG
(CHEMBL4103414)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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|
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n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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|
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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237426
PNG
(CHEMBL4091588)
Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237436
PNG
(CHEMBL4086161)
Show SMILES CC(C)CCn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
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n/an/a 4.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237419
PNG
(CHEMBL4103414)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
PDB

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n/an/a 5.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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|
PDB

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n/an/a 6.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237436
PNG
(CHEMBL4086161)
Show SMILES CC(C)CCn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237426
PNG
(CHEMBL4091588)
Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237427
PNG
(CHEMBL4104070)
Show SMILES Cc1nc2ccc(cc2n1CC1CCCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237427
PNG
(CHEMBL4104070)
Show SMILES Cc1nc2ccc(cc2n1CC1CCCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237419
PNG
(CHEMBL4103414)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
PDB

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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237422
PNG
(CHEMBL4086094)
Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
PDB

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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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=1/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-/s2
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
PDB

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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237437
PNG
(CHEMBL4077075)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 |r|
PDB

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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237437
PNG
(CHEMBL4077075)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 |r|
PDB

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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
PDB

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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(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|
PDB

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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
PDB

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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
PDB

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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
PDB

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n/an/a 78n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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n/an/a 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
PDB

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n/an/a 142n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
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n/an/a 145n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
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n/an/a 164n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237420
PNG
(CHEMBL4090361)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r|
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n/an/a 164n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237423
PNG
(CHEMBL4104017)
Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
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n/an/a 173n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
PDB

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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237428
PNG
(CHEMBL4093921)
Show SMILES Cc1nc2ccc(cc2n1Cc1ccccc1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
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n/an/a 250n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237429
PNG
(CHEMBL4066355)
Show SMILES CC(C)Cn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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n/an/a 290n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(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=1/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-/s2
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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237432
PNG
(CHEMBL4093845)
Show SMILES CS(=O)(=O)Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
PDB

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n/an/a 439n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237429
PNG
(CHEMBL4066355)
Show SMILES CC(C)Cn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237428
PNG
(CHEMBL4093921)
Show SMILES Cc1nc2ccc(cc2n1Cc1ccccc1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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n/an/a 440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237417
PNG
(CHEMBL4077280)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r|
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n/an/a 443n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(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|
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n/an/a 465n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237432
PNG
(CHEMBL4093845)
Show SMILES CS(=O)(=O)Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
PDB

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n/an/a 519n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
PDB

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n/an/a 703n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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n/an/a 870n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
PDB

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



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237421
PNG
(CHEMBL4069327)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r|
PDB

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n/an/a 1.47E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
PDB

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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 (SPHK1)


(Homo sapiens (Human))
BDBM50237434
PNG
(CHEMBL4067356)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
PDB

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n/an/a 3.67E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237434
PNG
(CHEMBL4067356)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(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|
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n/an/a 7.23E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
PDB

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n/an/a>8.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237414
PNG
(CHEMBL4088607)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
PDB

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n/an/a 9.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237433
PNG
(CHEMBL4063506)
Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(NC(=O)c3ccccc3)c2)cc1 |r|
PDB

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n/an/a 9.82E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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
NCI pathway
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KEGG

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



Pfizer Inc.

Curated by ChEMBL




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
PDB

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UniProtKB/SwissProt

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



Pfizer Inc.

Curated by ChEMBL




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
PDB

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



Pfizer Inc.

Curated by ChEMBL




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
NCI pathway
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KEGG

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



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237434
PNG
(CHEMBL4067356)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
PDB

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n/an/a 1.27E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237425
PNG
(CHEMBL4101628)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1
PDB

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n/an/a 2.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237414
PNG
(CHEMBL4088607)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
PDB

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n/an/a 3.10E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237419
PNG
(CHEMBL4103414)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
UniProtKB/SwissProt

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n/an/a 3.51E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237424
PNG
(CHEMBL4101573)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
UniProtKB/SwissProt

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n/an/a 3.96E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237416
PNG
(CHEMBL3348835)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1
UniProtKB/SwissProt

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n/an/a 4.26E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
UniProtKB/SwissProt

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n/an/a 4.60E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237425
PNG
(CHEMBL4101628)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1
PDB

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n/an/a 4.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237425
PNG
(CHEMBL4101628)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1
PDB

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n/an/a 4.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237415
PNG
(CHEMBL4064624)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237415
PNG
(CHEMBL4064624)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237415
PNG
(CHEMBL4064624)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237414
PNG
(CHEMBL4088607)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237414
PNG
(CHEMBL4088607)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
UniProtKB/SwissProt

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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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237434
PNG
(CHEMBL4067356)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 types 2 (SphK2)


(Homo sapiens (Human))
BDBM50237415
PNG
(CHEMBL4064624)
Show SMILES Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1 |r|
UniProtKB/SwissProt

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




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 (SPHK1)


(Homo sapiens (Human))
BDBM50237430
PNG
(CHEMBL4101485)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCCC2)cc1 |r|
PDB

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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%