BDBM50017506 2-Benzo[b]thiophen-4-yl-1-(decahydro-pyrrolo[1,2-a]quinoxalin-5-yl)-ethanone; hydrochloride::CHEMBL555990

SMILES: O=C(Cc1cccc2sccc12)N1CC2CCCN2[C@@H]2CCCC[C@@H]12

InChI Key: InChIKey=MZFRACSRDGXGRX-VOBHOPKGSA-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 = 50017506   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50017506 (2-Benzo[b]thiophen-4-yl-1-(decahydro-pyrrolo[1,2-a...) Show SMILES O=C(Cc1cccc2sccc12)N1CC2CCCN2[C@@H]2CCCC[C@@H]12 Show InChI InChI=1S/C21H26N2OS/c24-21(13-15-5-3-9-20-17(15)10-12-25-20)23-14-16-6-4-11-22(16)18-7-1-2-8-19(18)23/h3,5,9-10,12,16,18-19H,1-2,4,6-8,11,13-14H2/t16?,18-,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards mu opioid receptor was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50017506 (2-Benzo[b]thiophen-4-yl-1-(decahydro-pyrrolo[1,2-a...) Show SMILES O=C(Cc1cccc2sccc12)N1CC2CCCN2[C@@H]2CCCC[C@@H]12 Show InChI InChI=1S/C21H26N2OS/c24-21(13-15-5-3-9-20-17(15)10-12-25-20)23-14-16-6-4-11-22(16)18-7-1-2-8-19(18)23/h3,5,9-10,12,16,18-19H,1-2,4,6-8,11,13-14H2/t16?,18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair