BDBM50036238 4-((2S,6S,11S)-8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocin-3-ylmethyl)-benzonitrile::CHEMBL153341

SMILES: C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)C#N

InChI Key: InChIKey=DIXGQFUDBUDPFA-YDFBLROQSA-N

Data: 1 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 1 hit for monomerid = 50036238   

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 (Homo sapiens (Human))	BDBM50036238 (4-((2S,6S,11S)-8-Hydroxy-6,11-dimethyl-1,2,5,6-tet...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)C#N |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H24N2O/c1-15-21-11-18-7-8-19(25)12-20(18)22(15,2)9-10-24(21)14-17-5-3-16(13-23)4-6-17/h3-8,12,15,21,25H,9-11,14H2,1-2H3/t15-,21+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes				J Med Chem 38: 565-9 (1995) BindingDB Entry DOI: 10.7270/Q2X63M0N
					More data for this Ligand-Target Pair