BDBM50086371 2-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-5-nitro-1H-benzoimidazole::CHEMBL147200

SMILES: [O-][N+](=O)c1ccc2nc(SCCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1

InChI Key: InChIKey=NUOUVDQBWABUQE-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50086371   

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
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50086371 (2-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-5-n...) Show SMILES [O-][N+](=O)c1ccc2nc(SCCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C22H26N4O2S/c27-26(28)19-7-8-20-21(16-19)24-22(23-20)29-14-4-11-25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description Antagonistic activity against NR1A/2B receptor in frog oocytes				Bioorg Med Chem Lett 10: 527-9 (2000) BindingDB Entry DOI: 10.7270/Q26Q1WG4
					More data for this Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A) (Homo sapiens (Human))	BDBM50086371 (2-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-5-n...) Show SMILES [O-][N+](=O)c1ccc2nc(SCCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C22H26N4O2S/c27-26(28)19-7-8-20-21(16-19)24-22(23-20)29-14-4-11-25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15H2,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description Antagonistic activity against NR1A/2A receptors in frog oocytes				Bioorg Med Chem Lett 10: 527-9 (2000) BindingDB Entry DOI: 10.7270/Q26Q1WG4
					More data for this Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C (Homo sapiens (Human))	BDBM50086371 (2-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-5-n...) Show SMILES [O-][N+](=O)c1ccc2nc(SCCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C22H26N4O2S/c27-26(28)19-7-8-20-21(16-19)24-22(23-20)29-14-4-11-25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description Antagonistic activity against NR1A/2C receptor in frog oocytes				Bioorg Med Chem Lett 10: 527-9 (2000) BindingDB Entry DOI: 10.7270/Q26Q1WG4
					More data for this Ligand-Target Pair