BindingDB PrimarySearch

null

SMILES: OC(=O)c1cccnc1

InChI Key: InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-N

PDB links: 67 PDB IDs match this monomer. 43 PDB IDs contain this monomer as substructures.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 66 hits for monomerid = 23515
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay				J Med Chem 55: 3644-66 (2012) Article DOI: 10.1021/jm2010964 BindingDB Entry DOI: 10.7270/Q2000353
Arena Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)				Bioorg Med Chem 25: 2351-2371 (2017) Article DOI: 10.1016/j.bmc.2017.02.044 BindingDB Entry DOI: 10.7270/Q2C82CKQ
University of Karachi Curated by ChEMBL					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GPR109a expressed in HTLA cells assessed as increase in beta-arrestin2 recruitment after overnight incubation by Tango assa...				Eur J Med Chem 152: 208-222 (2018) Article DOI: 10.1016/j.ejmech.2018.04.037 BindingDB Entry DOI: 10.7270/Q2B27XT0
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GPR109a expressed in HTLA cells assessed as increase in beta-arrestin2 recruitment after overnight incubation by Tango assa...				Eur J Med Chem 152: 208-222 (2018) Article DOI: 10.1016/j.ejmech.2018.04.037 BindingDB Entry DOI: 10.7270/Q2B27XT0
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GPR109a expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated c...				Eur J Med Chem 152: 208-222 (2018) Article DOI: 10.1016/j.ejmech.2018.04.037 BindingDB Entry DOI: 10.7270/Q2B27XT0
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GPR109a expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated c...				Eur J Med Chem 152: 208-222 (2018) Article DOI: 10.1016/j.ejmech.2018.04.037 BindingDB Entry DOI: 10.7270/Q2B27XT0
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	249	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 N-flag-tagged human HCA2 receptor expressed in HEK293T cell membranes by scintillation counting analysis				Bioorg Med Chem 23: 4013-25 (2015) Article DOI: 10.1016/j.bmc.2015.02.018 BindingDB Entry DOI: 10.7270/Q22N558B
Leiden University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at HCA2 receptor (unknown origin) expressed in CHOK1 cells assessed as ERK1/2 phosphorylation by ELISA				Bioorg Med Chem 23: 4013-25 (2015) Article DOI: 10.1016/j.bmc.2015.02.018 BindingDB Entry DOI: 10.7270/Q22N558B
Leiden University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Agaricus bisporus (mushroom) tyrosinase				J Agric Food Chem 59: 4860-7 (2011) Article DOI: 10.1021/jf200485k BindingDB Entry DOI: 10.7270/Q2QF8WR8
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Oryctolagus cuniculus)	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Oryctolagus cuniculus (rabbit) AOX in liver cytosol				J Agric Food Chem 59: 4860-7 (2011) Article DOI: 10.1021/jf200485k BindingDB Entry DOI: 10.7270/Q2QF8WR8
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Catalase (Bos taurus)	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Bos taurus (bovine) CAT in liver				J Agric Food Chem 59: 4860-7 (2011) Article DOI: 10.1021/jf200485k BindingDB Entry DOI: 10.7270/Q2QF8WR8
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	14.5	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at GPR109A (unknown origin) assessed as effect on beta-arrestin2 conformational changes				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435 BindingDB Entry DOI: 10.7270/Q2F76GX7
ShanghaiTech University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	17.6	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at GPR109A (unknown origin) assessed as inhibition of forskolin-mediated cAMP accumulation after 15 mins by fluorescence assay				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435 BindingDB Entry DOI: 10.7270/Q2F76GX7
ShanghaiTech University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from GRP109A receptor (unknown origin) expressed in 293-EBNA cell membranes by liquid scintillation analysis				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127105 BindingDB Entry DOI: 10.7270/Q2PZ5DC8
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at GPR109A receptor (unknown origin) expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS binding based microbeta sci...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127105 BindingDB Entry DOI: 10.7270/Q2PZ5DC8
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 \| Niacin \| Nicotinic Acid \| [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at GPR109A receptor in human adipocytes assessed as inhibition of lipolysis				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127105 BindingDB Entry DOI: 10.7270/Q2PZ5DC8
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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