BDBM50322234 8-(Benzo[b]thiophen-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one oxalate::CHEMBL1169728

SMILES: CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O

InChI Key: InChIKey=BKMRLPDOTVKGIM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50322234   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322234 (8-(Benzo[b]thiophen-3-ylmethyl)-3-methyl-1-phenyl-...) Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O Show InChI InChI=1S/C23H25N3OS/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	60.1	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 Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322234 (8-(Benzo[b]thiophen-3-ylmethyl)-3-methyl-1-phenyl-...) Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O Show InChI InChI=1S/C23H25N3OS/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	71.4	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 Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322234 (8-(Benzo[b]thiophen-3-ylmethyl)-3-methyl-1-phenyl-...) Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O Show InChI InChI=1S/C23H25N3OS/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	331	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 Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50322234 (8-(Benzo[b]thiophen-3-ylmethyl)-3-methyl-1-phenyl-...) Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O Show InChI InChI=1S/C23H25N3OS/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	352	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 Displacement of [125I]ABN from human dopamine D4 receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair