Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50033266   

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
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342426 (4-methoxy-4-oxobut-2-enoic acid | CHEMBL589586 | m...) Show SMILES COC(=O)\C=C\C(O)=O Show InChI InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342427 (CHEMBL1771637 | ethyl fumarate) Show SMILES CCOC(=O)\C=C\C(O)=O Show InChI InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342422 (CHEMBL1771641 | Pentyl fumarate) Show SMILES CCCCCOC(=O)\C=C\C(O)=O Show InChI InChI=1S/C9H14O4/c1-2-3-4-7-13-9(12)6-5-8(10)11/h5-6H,2-4,7H2,1H3,(H,10,11)/b6-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342423 (Butyl fumarate | CHEMBL1771640) Show SMILES CCCCOC(=O)\C=C\C(O)=O Show InChI InChI=1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342425 (CHEMBL1771638 | Propyl fumarate) Show SMILES CCCOC(=O)\C=C\C(O)=O Show InChI InChI=1S/C7H10O4/c1-2-5-11-7(10)4-3-6(8)9/h3-4H,2,5H2,1H3,(H,8,9)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342415 (3-Fluorobenzyl fumarate | CHEMBL1771745) Show SMILES OC(=O)\C=C\C(=O)OCc1cccc(F)c1 Show InChI InChI=1S/C11H9FO4/c12-9-3-1-2-8(6-9)7-16-11(15)5-4-10(13)14/h1-6H,7H2,(H,13,14)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342421 (CHEMBL1771642 | Hexyl fumarate) Show SMILES CCCCCCOC(=O)\C=C\C(O)=O Show InChI InChI=1S/C10H16O4/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h6-7H,2-5,8H2,1H3,(H,11,12)/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342420 (Benzyl fumarate | CHEMBL1771737) Show SMILES OC(=O)\C=C\C(=O)OCc1ccccc1 Show InChI InChI=1S/C11H10O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342424 (CHEMBL1771639 | Isopropyl fumarate) Show SMILES CC(C)OC(=O)\C=C\C(O)=O Show InChI InChI=1S/C7H10O4/c1-5(2)11-7(10)4-3-6(8)9/h3-5H,1-2H3,(H,8,9)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342412 (CHEMBL1771765 | trans-3-(thiophen-2-yl)acrylic aci...) Show SMILES OC(=O)\C=C\c1cccs1 Show InChI InChI=1S/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342419 ((rac)-alpha-methylbenzyl fumarate | CHEMBL1771738) Show SMILES CC(OC(=O)\C=C\C(O)=O)c1ccccc1 Show InChI InChI=1S/C12H12O4/c1-9(10-5-3-2-4-6-10)16-12(15)8-7-11(13)14/h2-9H,1H3,(H,13,14)/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342413 (CHEMBL1771761 | trans-3-(furan-2-yl)acrylic acid) Show SMILES OC(=O)\C=C\c1ccco1 Show InChI InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342416 (3-Chlorobenzyl fumarate | CHEMBL1771744) Show SMILES OC(=O)\C=C\C(=O)OCc1cccc(Cl)c1 Show InChI InChI=1S/C11H9ClO4/c12-9-3-1-2-8(6-9)7-16-11(15)5-4-10(13)14/h1-6H,7H2,(H,13,14)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342417 (3-Bromobenzyl fumarate | CHEMBL1771743) Show SMILES OC(=O)\C=C\C(=O)OCc1cccc(Br)c1 Show InChI InChI=1S/C11H9BrO4/c12-9-3-1-2-8(6-9)7-16-11(15)5-4-10(13)14/h1-6H,7H2,(H,13,14)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342418 (CHEMBL1771739 | Phenylethyl fumarate) Show SMILES OC(=O)\C=C\C(=O)OCCc1ccccc1 Show InChI InChI=1S/C12H12O4/c13-11(14)6-7-12(15)16-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM4374 ((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50342414 ((E)-3-Furan-3-yl-acrylic acid | CHEMBL298683 | tra...) Show SMILES OC(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C7H6O3/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
					More data for this Ligand-Target Pair