Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50030964   

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))	BDBM50304580 (2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...) Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	48	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 Binding affinity to LPA1				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50304580 (2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...) Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	230	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 Binding affinity to LPA3				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 5 (Homo sapiens (Human))	BDBM50304580 (2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...) Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	292	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 Binding affinity to LPA5				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50304581 (2-(1,3-dioxo-5-(p-tolyloxy)isoindolin-2-yl)acetic ...) Show SMILES Cc1ccc(Oc2ccc3C(=O)N(CC(O)=O)C(=O)c3c2)cc1 Show InChI InChI=1S/C17H13NO5/c1-10-2-4-11(5-3-10)23-12-6-7-13-14(8-12)17(22)18(16(13)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	311	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 Binding affinity to LPA1				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50304581 (2-(1,3-dioxo-5-(p-tolyloxy)isoindolin-2-yl)acetic ...) Show SMILES Cc1ccc(Oc2ccc3C(=O)N(CC(O)=O)C(=O)c3c2)cc1 Show InChI InChI=1S/C17H13NO5/c1-10-2-4-11(5-3-10)23-12-6-7-13-14(8-12)17(22)18(16(13)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.08E+3	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 Binding affinity to LPA3				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					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	9	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 expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					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	22	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 expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50271625 (2-(2-(2-aminoacetamido)-3-(2,4-dinitrophenylthio)p...) Show SMILES NCC(=O)NC(CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-6-13(22)18-10(15(25)19-9(16(26)27)2-4-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,22)(H,19,25)(H,23,24)(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (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+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50304580 (2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...) Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					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 expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 5 (Homo sapiens (Human))	BDBM50304580 (2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...) Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	463	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50304581 (2-(1,3-dioxo-5-(p-tolyloxy)isoindolin-2-yl)acetic ...) Show SMILES Cc1ccc(Oc2ccc3C(=O)N(CC(O)=O)C(=O)c3c2)cc1 Show InChI InChI=1S/C17H13NO5/c1-10-2-4-11(5-3-10)23-12-6-7-13-14(8-12)17(22)18(16(13)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	609	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50304580 (2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-...) Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	752	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (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+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+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 LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50304581 (2-(1,3-dioxo-5-(p-tolyloxy)isoindolin-2-yl)acetic ...) Show SMILES Cc1ccc(Oc2ccc3C(=O)N(CC(O)=O)C(=O)c3c2)cc1 Show InChI InChI=1S/C17H13NO5/c1-10-2-4-11(5-3-10)23-12-6-7-13-14(8-12)17(22)18(16(13)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+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 LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50304582 (CHEMBL610179 | [5-(3-nitrophenoxy)-1,3-dioxo-1,3-d...) Show SMILES OC(=O)CN1C(=O)c2ccc(Oc3cccc(c3)[N+]([O-])=O)cc2C1=O Show InChI InChI=1S/C16H10N2O7/c19-14(20)8-17-15(21)12-5-4-11(7-13(12)16(17)22)25-10-3-1-2-9(6-10)18(23)24/h1-7H,8H2,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+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 LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair