Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50018253   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50193515 (1-fluoro-(3S)-hydroxyl-4-oleoyloxylbutane 1,3-cycl...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(O)(=O)O1 Show InChI InChI=1S/C22H42FO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)27-19-20-18-21(23)29(25,26)28-20/h20-21H,2-19H2,1H3,(H,25,26)/t20-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50193518 (3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	314	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50193517 (3-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphono...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C22H43O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)25-20-21-18-19-27(24,28)26-21/h21H,2-20H2,1H3,(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	403	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50193517 (3-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphono...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C22H43O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)25-20-21-18-19-27(24,28)26-21/h21H,2-20H2,1H3,(H,24,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	636	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50193518 (3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50193515 (1-fluoro-(3S)-hydroxyl-4-oleoyloxylbutane 1,3-cycl...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(O)(=O)O1 Show InChI InChI=1S/C22H42FO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)27-19-20-18-21(23)29(25,26)28-20/h20-21H,2-19H2,1H3,(H,25,26)/t20-,21?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50193515 (1-fluoro-(3S)-hydroxyl-4-oleoyloxylbutane 1,3-cycl...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(O)(=O)O1 Show InChI InChI=1S/C22H42FO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)27-19-20-18-21(23)29(25,26)28-20/h20-21H,2-19H2,1H3,(H,25,26)/t20-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50193518 (3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	799	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50193517 (3-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphono...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C22H43O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)25-20-21-18-19-27(24,28)26-21/h21H,2-20H2,1H3,(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	941	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50193517 (3-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphono...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C22H43O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)25-20-21-18-19-27(24,28)26-21/h21H,2-20H2,1H3,(H,24,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50193518 (3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50193515 (1-fluoro-(3S)-hydroxyl-4-oleoyloxylbutane 1,3-cycl...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(O)(=O)O1 Show InChI InChI=1S/C22H42FO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)27-19-20-18-21(23)29(25,26)28-20/h20-21H,2-19H2,1H3,(H,25,26)/t20-,21?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 2 (Homo sapiens (Human))	BDBM50193516 (1,1-difluoro-3(S)-hydroxyl-4-oleoyloxylbutane 1,3-...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)(F)P(O)(=O)O1 Show InChI InChI=1S/C22H41F2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)28-19-20-18-22(23,24)30(26,27)29-20/h20H,2-19H2,1H3,(H,26,27)/t20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>9.46E+3	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA2 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50193516 (1,1-difluoro-3(S)-hydroxyl-4-oleoyloxylbutane 1,3-...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)(F)P(O)(=O)O1 Show InChI InChI=1S/C22H41F2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)28-19-20-18-22(23,24)30(26,27)29-20/h20H,2-19H2,1H3,(H,26,27)/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>7.03E+3	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50193516 (1,1-difluoro-3(S)-hydroxyl-4-oleoyloxylbutane 1,3-...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)(F)P(O)(=O)O1 Show InChI InChI=1S/C22H41F2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)28-19-20-18-22(23,24)30(26,27)29-20/h20H,2-19H2,1H3,(H,26,27)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.94E+3	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair