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PubMed code 25155385

Compile data set for download or QSAR
Found 10 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
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023473
PNG
(CHEMBL3326527)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCC2)\n2ncc(C#N)c2N)c(F)c1
Show InChI InChI=1S/C18H18FN5O2/c1-26-13-6-7-14(15(19)8-13)16(25)18(23-12-4-2-3-5-12)24-17(21)11(9-20)10-22-24/h6-8,10,12H,2-5,21H2,1H3/b23-18+
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n/an/a 74n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023477
PNG
(CHEMBL3326523)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCC2)\n2ncc(C#N)c2N)c(OC)c1
Show InChI InChI=1S/C19H21N5O3/c1-26-14-7-8-15(16(9-14)27-2)17(25)19(23-13-5-3-4-6-13)24-18(21)12(10-20)11-22-24/h7-9,11,13H,3-6,21H2,1-2H3/b23-19+
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n/an/a 79n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023466
PNG
(CHEMBL3326534)
Show SMILES COc1ccc(C(=O)C(=N/C(C)C)\n2ncc(C#N)c2N)c(OC)c1
Show InChI InChI=1S/C17H19N5O3/c1-10(2)21-17(22-16(19)11(8-18)9-20-22)15(23)13-6-5-12(24-3)7-14(13)25-4/h5-7,9-10H,19H2,1-4H3/b21-17+
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n/an/a 111n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023467
PNG
(CHEMBL3326533)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCCC2)\n2ncc(C#N)c2N)c(OC)c1
Show InChI InChI=1S/C20H23N5O3/c1-27-15-8-9-16(17(10-15)28-2)18(26)20(24-14-6-4-3-5-7-14)25-19(22)13(11-21)12-23-25/h8-10,12,14H,3-7,22H2,1-2H3/b24-20+
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n/an/a 510n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023476
PNG
(CHEMBL3326524)
Show SMILES CCc1ccc(cc1)C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C19H21N5O/c1-2-13-7-9-14(10-8-13)17(25)19(23-16-5-3-4-6-16)24-18(21)15(11-20)12-22-24/h7-10,12,16H,2-6,21H2,1H3/b23-19+
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n/an/a 586n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023471
PNG
(CHEMBL3326531)
Show SMILES COc1cc2ccccc2cc1C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C22H21N5O2/c1-29-19-11-15-7-3-2-6-14(15)10-18(19)20(28)22(26-17-8-4-5-9-17)27-21(24)16(12-23)13-25-27/h2-3,6-7,10-11,13,17H,4-5,8-9,24H2,1H3/b26-22+
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n/an/a 805n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023469
PNG
(CHEMBL3326532)
Show SMILES COc1cc2CCCc2cc1C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C21H23N5O2/c1-28-18-10-14-6-4-5-13(14)9-17(18)19(27)21(25-16-7-2-3-8-16)26-20(23)15(11-22)12-24-26/h9-10,12,16H,2-8,23H2,1H3/b25-21+
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n/an/a 825n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023474
PNG
(CHEMBL3326525)
Show SMILES Nc1c(cnn1\C(=N\C1CCCC1)C(=O)c1ccc(Br)cc1)C#N
Show InChI InChI=1S/C17H16BrN5O/c18-13-7-5-11(6-8-13)15(24)17(22-14-3-1-2-4-14)23-16(20)12(9-19)10-21-23/h5-8,10,14H,1-4,20H2/b22-17+
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n/an/a 2.94E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023472
PNG
(CHEMBL3326529)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C20H23N5O4/c1-27-15-9-17(29-3)16(28-2)8-14(15)18(26)20(24-13-6-4-5-7-13)25-19(22)12(10-21)11-23-25/h8-9,11,13H,4-7,22H2,1-3H3/b24-20+
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n/an/a 3.36E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023478
PNG
(CHEMBL1394166)
Show SMILES COc1ccc(-c2[nH]c3c(cnn3c2NC2CCCC2)C#N)c(OC)c1
Show InChI InChI=1S/C19H21N5O2/c1-25-14-7-8-15(16(9-14)26-2)17-19(22-13-5-3-4-6-13)24-18(23-17)12(10-20)11-21-24/h7-9,11,13,22-23H,3-6H2,1-2H3
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n/an/a 8.00E+5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%