Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50037188   

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 (Rattus norvegicus)	BDBM23515 (CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50220842 (3-butyl-1H-pyrazole-5-carboxylic acid | 5-butyl-1H...) Show SMILES CCCCc1cc(n[nH]1)C(O)=O Show InChI InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50220850 (3-propyl-1H-pyrazole-5-carboxylic acid | 5-propyl-...) Show SMILES CCCc1cc(n[nH]1)C(O)=O Show InChI InChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(10)11)9-8-5/h4H,2-3H2,1H3,(H,8,9)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132140 (1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic...) Show SMILES OC(=O)c1n[nH]c2CCCc12 Show InChI InChI=1S/C7H8N2O2/c10-7(11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50216550 (3-(3-chlorobenzyl)-1H-pyrazole-5-carboxylic acid |...) Show SMILES OC(=O)c1cc(Cc2cccc(Cl)c2)[nH]n1 Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	504	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132132 (1H-pyrazole-3-carboxylic acid | CHEMBL128679) Show SMILES OC(=O)c1ccn[nH]1 Show InChI InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	594	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50211363 (3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...) Show SMILES CC(C)c1cc(n[nH]1)C(O)=O Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	683	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50216537 (3-benzyl-1H-pyrazole-5-carboxylic acid | 5-Benzyl-...) Show SMILES OC(=O)c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C11H10N2O2/c14-11(15)10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132146 (5-Phenethyl-1H-pyrazole-3-carboxylic acid | CHEMBL...) Show SMILES OC(=O)c1cc(CCc2ccccc2)[nH]n1 Show InChI InChI=1S/C12H12N2O2/c15-12(16)11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132142 (4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid |...) Show SMILES OC(=O)c1n[nH]c2CCCCc12 Show InChI InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132144 (5-(4-Chloro-benzyl)-1H-pyrazole-3-carboxylic acid ...) Show SMILES OC(=O)c1cc(Cc2ccc(Cl)cc2)[nH]n1 Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132139 (5-(3-Phenyl-propyl)-1H-pyrazole-3-carboxylic acid ...) Show SMILES OC(=O)c1cc(CCCc2ccccc2)[nH]n1 Show InChI InChI=1S/C13H14N2O2/c16-13(17)12-9-11(14-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132150 (5-(4-Methyl-benzyl)-1H-pyrazole-3-carboxylic acid ...) Show SMILES Cc1ccc(Cc2cc(n[nH]2)C(O)=O)cc1 Show InChI InChI=1S/C12H12N2O2/c1-8-2-4-9(5-3-8)6-10-7-11(12(15)16)14-13-10/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132136 (5-Undecyl-1H-pyrazole-3-carboxylic acid | CHEMBL12...) Show SMILES CCCCCCCCCCCc1cc(n[nH]1)C(O)=O Show InChI InChI=1S/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(15(18)19)17-16-13/h12H,2-11H2,1H3,(H,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132133 (5-p-Tolyl-1H-pyrazole-3-carboxylic acid | CHEMBL34...) Show SMILES Cc1ccc(cc1)-c1cc([nH]n1)C(O)=O Show InChI InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132149 (5-(3-Chloro-phenyl)-1H-pyrazole-3-carboxylic acid ...) Show SMILES OC(=O)c1cc(n[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132134 (5-(4-Methoxy-benzyl)-1H-pyrazole-3-carboxylic acid...) Show SMILES COc1ccc(Cc2cc(n[nH]2)C(O)=O)cc1 Show InChI InChI=1S/C12H12N2O3/c1-17-10-4-2-8(3-5-10)6-9-7-11(12(15)16)14-13-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50132135 (4,6-Dihydro-1H-furo[3,4-c]pyrazole-3-carboxylic ac...) Show SMILES OC(=O)c1[nH]nc2COCc12 Show InChI InChI=1S/C6H6N2O3/c9-6(10)5-3-1-11-2-4(3)7-8-5/h1-2H2,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM50241312 (3-phenyl-1H-pyrazole-5-carboxylic acid | 5-Phenyl-...) Show SMILES OC(=O)c1cc(n[nH]1)-c1ccccc1 Show InChI InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Rattus norvegicus)	BDBM44423 (3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid |...) Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.				J Med Chem 46: 3945-51 (2003) Article DOI: 10.1021/jm030888c BindingDB Entry DOI: 10.7270/Q2V988TK
					More data for this Ligand-Target Pair