BDBM50331306 CHEMBL1289057::cis-7-(Benzyloxy)-3-(4-phenylcyclohexyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol

SMILES: OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1

InChI Key: InChIKey=PTTOPMPFOOSPSM-BHEHOSCNSA-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 = 50331306   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50331306 (CHEMBL1289057 | cis-7-(Benzyloxy)-3-(4-phenylcyclo...) Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:20.22,23.29,(-.38,6.74,;-0,5.31,;1.51,5.06,;2.27,3.64,;1.62,2.21,;.11,1.85,;-1.16,2.84,;-2.46,2.1,;-3.74,2.84,;-5.03,2.1,;-6.31,2.84,;-7.59,2.09,;-8.88,2.83,;-10.16,2.08,;-10.16,.6,;-8.88,-.15,;-7.59,.6,;-3.75,4.32,;-2.48,5.07,;-1.18,4.34,;3.86,3.63,;4.66,2.24,;6.26,2.23,;7.08,3.61,;6.29,5.01,;4.67,5.02,;8.68,3.59,;9.46,2.19,;11.06,2.17,;11.88,3.56,;11.08,4.96,;9.48,4.96,)| Show InChI InChI=1S/C29H33NO2/c31-29-20-30(26-13-11-24(12-14-26)23-9-5-2-6-10-23)18-17-25-19-27(15-16-28(25)29)32-21-22-7-3-1-4-8-22/h1-10,15-16,19,24,26,29,31H,11-14,17-18,20-21H2/t24-,26+,29?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50331306 (CHEMBL1289057 | cis-7-(Benzyloxy)-3-(4-phenylcyclo...) Show SMILES OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:20.22,23.29,(-.38,6.74,;-0,5.31,;1.51,5.06,;2.27,3.64,;1.62,2.21,;.11,1.85,;-1.16,2.84,;-2.46,2.1,;-3.74,2.84,;-5.03,2.1,;-6.31,2.84,;-7.59,2.09,;-8.88,2.83,;-10.16,2.08,;-10.16,.6,;-8.88,-.15,;-7.59,.6,;-3.75,4.32,;-2.48,5.07,;-1.18,4.34,;3.86,3.63,;4.66,2.24,;6.26,2.23,;7.08,3.61,;6.29,5.01,;4.67,5.02,;8.68,3.59,;9.46,2.19,;11.06,2.17,;11.88,3.56,;11.08,4.96,;9.48,4.96,)| Show InChI InChI=1S/C29H33NO2/c31-29-20-30(26-13-11-24(12-14-26)23-9-5-2-6-10-23)18-17-25-19-27(15-16-28(25)29)32-21-22-7-3-1-4-8-22/h1-10,15-16,19,24,26,29,31H,11-14,17-18,20-21H2/t24-,26+,29?	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	139	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