BDBM50407213 CHEMBL2111685

SMILES: CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1

InChI Key: InChIKey=SSPWSCFMVXPMNL-UNMCSNQZSA-N

Data: 5 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 5 hits for monomerid = 50407213   

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))	BDBM50407213 (CHEMBL2111685) Show SMILES CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |r,w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/t20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50407213 (CHEMBL2111685) Show SMILES CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |r,w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/t20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma receptor of guinea pig brain				J Med Chem 37: 3163-70 (1994) BindingDB Entry DOI: 10.7270/Q2F18XSH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50407213 (CHEMBL2111685) Show SMILES CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |r,w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-DAMGO binding to rat brain mu receptor				J Med Chem 37: 3163-70 (1994) BindingDB Entry DOI: 10.7270/Q2F18XSH
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50407213 (CHEMBL2111685) Show SMILES CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |r,w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-DADLE binding to rat brain delta receptor				J Med Chem 37: 3163-70 (1994) BindingDB Entry DOI: 10.7270/Q2F18XSH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50407213 (CHEMBL2111685) Show SMILES CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |r,w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/t20-,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]U69,593 binding to kappa 1 receptor of guinea pig brain				J Med Chem 37: 3163-70 (1994) BindingDB Entry DOI: 10.7270/Q2F18XSH
					More data for this Ligand-Target Pair