BDBM50227784 2-((2S,5R)-2,5-dimethyl-1-(quinoxalin-2-yl)piperazine-4-carboxamido)benzoic acid::CHEMBL251222

SMILES: C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccccc1C(O)=O)c1cnc2ccccc2n1

InChI Key: InChIKey=QBHAXVMDZHWGKN-LSDHHAIUSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50227784   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50227784 (2-((2S,5R)-2,5-dimethyl-1-(quinoxalin-2-yl)piperaz...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccccc1C(O)=O)c1cnc2ccccc2n1 Show InChI InChI=1S/C22H23N5O3/c1-14-13-27(22(30)25-17-8-4-3-7-16(17)21(28)29)15(2)12-26(14)20-11-23-18-9-5-6-10-19(18)24-20/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,28,29)/t14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from human GPR109A				Bioorg Med Chem Lett 17: 6723-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.055 BindingDB Entry DOI: 10.7270/Q2R2114Q
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50227784 (2-((2S,5R)-2,5-dimethyl-1-(quinoxalin-2-yl)piperaz...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccccc1C(O)=O)c1cnc2ccccc2n1 Show InChI InChI=1S/C22H23N5O3/c1-14-13-27(22(30)25-17-8-4-3-7-16(17)21(28)29)15(2)12-26(14)20-11-23-18-9-5-6-10-19(18)24-20/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,28,29)/t14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR106A by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 6723-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.055 BindingDB Entry DOI: 10.7270/Q2R2114Q
					More data for this Ligand-Target Pair