BDBM50331299 (+/-)-7-(Benzyloxy)-3-{3-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]propyl}-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol::CHEMBL1290386

SMILES: COc1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1

InChI Key: InChIKey=YACCVVUNICRPSW-UHFFFAOYSA-N

Data: 2 KI

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 = 50331299   

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
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50331299 ((+/-)-7-(Benzyloxy)-3-{3-[2-(4-methoxyphenyl)-5,5-...) Show SMILES COc1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1 Show InChI InChI=1S/C33H41NO5/c1-32(2)23-38-33(39-24-32,27-10-12-28(36-3)13-11-27)17-7-18-34-19-16-26-20-29(14-15-30(26)31(35)21-34)37-22-25-8-5-4-6-9-25/h4-6,8-15,20,31,35H,7,16-19,21-24H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting				Bioorg Med Chem 18: 8005-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.026 BindingDB Entry DOI: 10.7270/Q28W3DJB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50331299 ((+/-)-7-(Benzyloxy)-3-{3-[2-(4-methoxyphenyl)-5,5-...) Show SMILES COc1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1 Show InChI InChI=1S/C33H41NO5/c1-32(2)23-38-33(39-24-32,27-10-12-28(36-3)13-11-27)17-7-18-34-19-16-26-20-29(14-15-30(26)31(35)21-34)37-22-25-8-5-4-6-9-25/h4-6,8-15,20,31,35H,7,16-19,21-24H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting				Bioorg Med Chem 18: 8005-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.026 BindingDB Entry DOI: 10.7270/Q28W3DJB
					More data for this Ligand-Target Pair