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5 similar compounds to monomer 50373827

Compile data set for download or QSAR
Wt: 445.6
BDBM50373815
Wt: 500.4
BDBM50373826
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Wt: 445.6
BDBM50373828
Wt: 445.6
BDBM50373829
Wt: 445.6
BDBM50373830

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50373815,50373826,50373828,50373829,50373830   
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
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50373815
PNG
(CHEMBL401756)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-15-4-6-18(7-5-15)30(27,28)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-29-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50373826
PNG
(CHEMBL256470)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50373828
PNG
(CHEMBL427893)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1cccc(C)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-15-5-4-6-18(11-15)30(27,28)26-9-7-25(8-10-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-29-20/h4-6,11,13-14,17H,7-10,12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50373826
PNG
(CHEMBL256470)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins


Bioorg Med Chem Lett 22: 5239-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.057
BindingDB Entry DOI: 10.7270/Q2J1047Q
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50373830
PNG
(CHEMBL401543)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)Cc1ccccc1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-16-13-29-20-19(16)22-15-23-21(20)24-17(2)12-25-8-10-26(11-9-25)30(27,28)14-18-6-4-3-5-7-18/h3-7,13,15,17H,8-12,14H2,1-2H3,(H,22,23,24)/t17-/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50373826
PNG
(CHEMBL256470)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50373826
PNG
(CHEMBL256470)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
UniProtKB/SwissProt

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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50373829
PNG
(CHEMBL429681)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccccc1C)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-15-6-4-5-7-18(15)30(27,28)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-29-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair