BDBM50204884 6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfinyl)benzo[d]oxazol-2(3H)-one::6-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethanesulfinyl}-3H-benzooxazol-2-one::CHEMBL219631::CI-1041::besonprodil

SMILES: Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1

InChI Key: InChIKey=FCBQJNCAKZSIAH-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50204884   

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))	BDBM50204884 (6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfin...) Show SMILES Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 Show InChI InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to GluN2B (unknown origin)				Eur J Med Chem 116: 136-146 (2016) BindingDB Entry DOI: 10.7270/Q261126Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50204884 (6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfin...) Show SMILES Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 Show InChI InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane				Bioorg Med Chem Lett 16: 4638-40 (2006) Article DOI: 10.1016/j.bmcl.2006.06.002 BindingDB Entry DOI: 10.7270/Q2V69J7M
					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50204884 (6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfin...) Show SMILES Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 Show InChI InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd. Curated by ChEMBL					Assay Description Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B				Bioorg Med Chem Lett 13: 3859-61 (2003) BindingDB Entry DOI: 10.7270/Q2TH8M32
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50204884 (6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfin...) Show SMILES Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 Show InChI InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd. Curated by ChEMBL					Assay Description Antagonist activity at NR2B NMDA receptor in Wistar rat neocortical cells assessed as inhibition of NMDA-evoked elevation of intracellular calcium co...				J Med Chem 50: 901-14 (2007) Article DOI: 10.1021/jm060420k BindingDB Entry DOI: 10.7270/Q2DV1JJ4
					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50204884 (6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfin...) Show SMILES Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 Show InChI InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd Curated by ChEMBL					Assay Description Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor				Bioorg Med Chem Lett 14: 3953-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.053 BindingDB Entry DOI: 10.7270/Q2FT8KG8
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50204884 (6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfin...) Show SMILES Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 Show InChI InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25,6981 from NR2B NMDA receptor in rat forebrain				J Med Chem 50: 901-14 (2007) Article DOI: 10.1021/jm060420k BindingDB Entry DOI: 10.7270/Q2DV1JJ4
					More data for this Ligand-Target Pair