BDBM50331316 (+/-)-trans-3-(2-Phenyl-1,3-dioxan-5-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-1,7-diol::CHEMBL1289733

SMILES: OC1CN(CCc2cc(O)ccc12)[C@H]1CO[C@@H](OC1)c1ccccc1

InChI Key: InChIKey=DKUNGJZSUMCVMS-IDAQTIHDSA-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 = 50331316   

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))	BDBM50331316 ((+/-)-trans-3-(2-Phenyl-1,3-dioxan-5-yl)-2,3,4,5-t...) Show SMILES OC1CN(CCc2cc(O)ccc12)[C@H]1CO[C@@H](OC1)c1ccccc1 |r,wU:16.21,wD:13.14,(30.75,-3.37,;31.13,-4.81,;32.64,-5.06,;33.4,-6.48,;32.76,-7.92,;31.24,-8.29,;29.96,-7.28,;28.66,-8.03,;27.36,-7.28,;26.08,-8.03,;27.36,-5.8,;28.64,-5.05,;29.94,-5.78,;35.01,-6.48,;35.82,-7.87,;37.42,-7.87,;38.23,-6.49,;37.42,-5.09,;35.81,-5.09,;39.76,-6.49,;40.53,-7.83,;42.07,-7.84,;42.85,-6.5,;42.07,-5.16,;40.53,-5.16,)| Show InChI InChI=1S/C20H23NO4/c22-17-6-7-18-15(10-17)8-9-21(11-19(18)23)16-12-24-20(25-13-16)14-4-2-1-3-5-14/h1-7,10,16,19-20,22-23H,8-9,11-13H2/t16-,19?,20-	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	>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]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))	BDBM50331316 ((+/-)-trans-3-(2-Phenyl-1,3-dioxan-5-yl)-2,3,4,5-t...) Show SMILES OC1CN(CCc2cc(O)ccc12)[C@H]1CO[C@@H](OC1)c1ccccc1 |r,wU:16.21,wD:13.14,(30.75,-3.37,;31.13,-4.81,;32.64,-5.06,;33.4,-6.48,;32.76,-7.92,;31.24,-8.29,;29.96,-7.28,;28.66,-8.03,;27.36,-7.28,;26.08,-8.03,;27.36,-5.8,;28.64,-5.05,;29.94,-5.78,;35.01,-6.48,;35.82,-7.87,;37.42,-7.87,;38.23,-6.49,;37.42,-5.09,;35.81,-5.09,;39.76,-6.49,;40.53,-7.83,;42.07,-7.84,;42.85,-6.5,;42.07,-5.16,;40.53,-5.16,)| Show InChI InChI=1S/C20H23NO4/c22-17-6-7-18-15(10-17)8-9-21(11-19(18)23)16-12-24-20(25-13-16)14-4-2-1-3-5-14/h1-7,10,16,19-20,22-23H,8-9,11-13H2/t16-,19?,20-	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