Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50040024   

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 5 (Homo sapiens (Human))	BDBM50388091 (CHEMBL2058156) Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Antagonist activity at LPA5 receptor in human washed 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 5 (Homo sapiens (Human))	BDBM50388091 (CHEMBL2058156) Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Antagonist activity at human recombinant LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of hexadecyl-LPA-induced effect				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 5 (Homo sapiens (Human))	BDBM50388091 (CHEMBL2058156) Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 2 (Homo sapiens (Human))	BDBM50388091 (CHEMBL2058156) Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor in human isolated platelets assessed as inhibition of TRAP-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 5 (Homo sapiens (Human))	BDBM50373826 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 5 (Homo sapiens (Human))	BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl Show InChI InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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