Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50017012   

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 3 (Homo sapiens (Human))	BDBM50176396 (CHEMBL204037 | Serine amide phospate derivative | ...) Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176395 (CHEMBL202251 | phosphoric acid mono-((R)-2-octanoy...) Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=O)NC(=O)CCCCCCC Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	489	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176394 (CHEMBL202361 | octanoic acid (R)-2-octanoyloxy-3-t...) Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176391 (CHEMBL202185 | octanoic acid (R)-2-octanoyloxy-3-p...) Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176397 (CHEMBL203986 | nonanoic acid (S)-2-nonanoyloxy-3-p...) Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=O)OCCCCCCCC Show InChI InChI=1S/C19H41O6P/c1-3-5-7-9-11-13-15-23-17-19(18-25-26(20,21)22)24-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,22)/t19-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176398 ((S)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...) Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176393 (CHEMBL383095 | octanoic acid (S)-2-octanoyloxy-3-p...) Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176389 (CHEMBL440396 | thiophosphoric acid (S)-2-octanoyla...) Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=S)NC(=O)CCCCCCC Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176392 (CHEMBL379248 | thiophosphoric acid (R)-2-octanoyla...) Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176390 ((R)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...) Show SMILES CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176400 ((R)-2,3-bis(octyloxy)propyl dihydrogen phosphate |...) Show SMILES CCCCCCCCOC[C@H](COP(O)(O)=O)OCCCCCCCC Show InChI InChI=1S/C19H41O6P/c1-3-5-7-9-11-13-15-23-17-19(18-25-26(20,21)22)24-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,22)/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	164	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176399 (CHEMBL202242 | octanoic acid (S)-2-octanoyloxy-3-t...) Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	115	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair