Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50026101   

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 2 (Homo sapiens (Human))	BDBM50271765 (3-(4-{3-[4-(3-Carboxy-acryloylamino)-phenoxy]-phen...) Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)\C=C\C(O)=O)cc3)c2)cc1 Show InChI InChI=1S/C26H20N2O8/c29-23(12-14-25(31)32)27-17-4-8-19(9-5-17)35-21-2-1-3-22(16-21)36-20-10-6-18(7-11-20)28-24(30)13-15-26(33)34/h1-16H,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b14-12+,15-13+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 2 (Homo sapiens (Human))	BDBM50271763 (3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac...) Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1 Show InChI InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 2 (Homo sapiens (Human))	BDBM50271764 (3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarba...) Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1 Show InChI InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	21.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 2 (Homo sapiens (Human))	BDBM50271765 (3-(4-{3-[4-(3-Carboxy-acryloylamino)-phenoxy]-phen...) Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)\C=C\C(O)=O)cc3)c2)cc1 Show InChI InChI=1S/C26H20N2O8/c29-23(12-14-25(31)32)27-17-4-8-19(9-5-17)35-21-2-1-3-22(16-21)36-20-10-6-18(7-11-20)28-24(30)13-15-26(33)34/h1-16H,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b14-12+,15-13+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 2 (Homo sapiens (Human))	BDBM50271763 (3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac...) Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1 Show InChI InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.8	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 2 (Homo sapiens (Human))	BDBM50271764 (3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarba...) Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1 Show InChI InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 2 (Homo sapiens (Human))	BDBM50271701 (2,6-bis(3-carboxyacrylamido)benzoic acid | 4,4'-(2...) Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1C(O)=O Show InChI InChI=1S/C15H12N2O8/c18-10(4-6-12(20)21)16-8-2-1-3-9(14(8)15(24)25)17-11(19)5-7-13(22)23/h1-7H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b6-4+,7-5+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 2 (Homo sapiens (Human))	BDBM50271699 (7-(4-(4-aminobenzamido)benzamido)-4-hydroxynaphtha...) Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc2c(O)cc(cc2c1)S(O)(=O)=O Show InChI InChI=1S/C24H19N3O6S/c25-17-5-1-14(2-6-17)23(29)26-18-7-3-15(4-8-18)24(30)27-19-9-10-21-16(11-19)12-20(13-22(21)28)34(31,32)33/h1-13,28H,25H2,(H,26,29)(H,27,30)(H,31,32,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair