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BDBM50065617 CHEMBL3401389

SMILES: CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccnc2)c1

InChI Key: InChIKey=SAPPQCBNZBHPLZ-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50065617   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065617
PNG
(CHEMBL3401389)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccnc2)c1
Show InChI InChI=1S/C29H34FN3O4/c1-3-21(4-2)19-29(35)11-14-33(15-12-29)28(34)32-23-16-26(36-24-9-7-22(30)8-10-24)18-27(17-23)37-25-6-5-13-31-20-25/h5-10,13,16-18,20-21,35H,3-4,11-12,14-15,19H2,1-2H3,(H,32,34)
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n/an/a 210n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50065617
PNG
(CHEMBL3401389)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccnc2)c1
Show InChI InChI=1S/C29H34FN3O4/c1-3-21(4-2)19-29(35)11-14-33(15-12-29)28(34)32-23-16-26(36-24-9-7-22(30)8-10-24)18-27(17-23)37-25-6-5-13-31-20-25/h5-10,13,16-18,20-21,35H,3-4,11-12,14-15,19H2,1-2H3,(H,32,34)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065617
PNG
(CHEMBL3401389)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccnc2)c1
Show InChI InChI=1S/C29H34FN3O4/c1-3-21(4-2)19-29(35)11-14-33(15-12-29)28(34)32-23-16-26(36-24-9-7-22(30)8-10-24)18-27(17-23)37-25-6-5-13-31-20-25/h5-10,13,16-18,20-21,35H,3-4,11-12,14-15,19H2,1-2H3,(H,32,34)
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n/an/a 940n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50065617
PNG
(CHEMBL3401389)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccnc2)c1
Show InChI InChI=1S/C29H34FN3O4/c1-3-21(4-2)19-29(35)11-14-33(15-12-29)28(34)32-23-16-26(36-24-9-7-22(30)8-10-24)18-27(17-23)37-25-6-5-13-31-20-25/h5-10,13,16-18,20-21,35H,3-4,11-12,14-15,19H2,1-2H3,(H,32,34)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50065617
PNG
(CHEMBL3401389)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccnc2)c1
Show InChI InChI=1S/C29H34FN3O4/c1-3-21(4-2)19-29(35)11-14-33(15-12-29)28(34)32-23-16-26(36-24-9-7-22(30)8-10-24)18-27(17-23)37-25-6-5-13-31-20-25/h5-10,13,16-18,20-21,35H,3-4,11-12,14-15,19H2,1-2H3,(H,32,34)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair