BDBM50431036 CHEMBL2338760

SMILES: CCCCCc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1

InChI Key: InChIKey=ZNNNHMQVUHNXQO-PMOQBDJRSA-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 = 50431036   

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))	BDBM50431036 (CHEMBL2338760) Show SMILES CCCCCc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r| Show InChI InChI=1S/C23H35NO/c1-2-3-5-9-17-13-14-21-20(16-17)23-19(12-8-15-25-23)22(24-21)18-10-6-4-7-11-18/h13-14,16,18-19,22-24H,2-12,15H2,1H3/t19-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysis				J Med Chem 56: 3656-65 (2013) Article DOI: 10.1021/jm400181k BindingDB Entry DOI: 10.7270/Q2NK3GC7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50431036 (CHEMBL2338760) Show SMILES CCCCCc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r| Show InChI InChI=1S/C23H35NO/c1-2-3-5-9-17-13-14-21-20(16-17)23-19(12-8-15-25-23)22(24-21)18-10-6-4-7-11-18/h13-14,16,18-19,22-24H,2-12,15H2,1H3/t19-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysis				J Med Chem 56: 3656-65 (2013) Article DOI: 10.1021/jm400181k BindingDB Entry DOI: 10.7270/Q2NK3GC7
					More data for this Ligand-Target Pair