BDBM50000784 2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1,4-dioxa-spiro[4.5]dec-8-yl)-acetamide::CHEMBL73226

SMILES: CN([C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NFIYELFTWUFXOM-OALUTQOASA-N

Data: 3 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 3 hits for monomerid = 50000784   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000784 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1...) Show SMILES CN([C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H28Cl2N2O3/c1-24(20(26)13-15-4-5-16(22)17(23)12-15)18-6-7-21(27-10-11-28-21)14-19(18)25-8-2-3-9-25/h4-5,12,18-19H,2-3,6-11,13-14H2,1H3/t18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa from guinea pig brain membranes using [3H]ethylketocyclazocine as radioligand				J Med Chem 35: 2243-7 (1992) BindingDB Entry DOI: 10.7270/Q20K296N
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50000784 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1...) Show SMILES CN([C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H28Cl2N2O3/c1-24(20(26)13-15-4-5-16(22)17(23)12-15)18-6-7-21(27-10-11-28-21)14-19(18)25-8-2-3-9-25/h4-5,12,18-19H,2-3,6-11,13-14H2,1H3/t18-,19-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	702	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu from guinea pig brain membranes using [3H]naloxone as radioligand				J Med Chem 35: 2243-7 (1992) BindingDB Entry DOI: 10.7270/Q20K296N
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000784 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(7-pyrrolidin-1...) Show SMILES CN([C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H28Cl2N2O3/c1-24(20(26)13-15-4-5-16(22)17(23)12-15)18-6-7-21(27-10-11-28-21)14-19(18)25-8-2-3-9-25/h4-5,12,18-19H,2-3,6-11,13-14H2,1H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity against opioid receptor delta from guinea pig brain membranes using [3H]DADLE as radioligand				J Med Chem 35: 2243-7 (1992) BindingDB Entry DOI: 10.7270/Q20K296N
					More data for this Ligand-Target Pair