Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.3 BDBM50304580Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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))	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 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 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