BDBM50299280 1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofuran-1,4'-piperidine]::CHEMBL575994::WMS-1813

SMILES: FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12

InChI Key: InChIKey=GLHFPIWMJOHIPT-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50299280   

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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAChT				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to delta opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to delta opioid receptor				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	344	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Anti-estrogen binding site (AEBS) (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to EBP				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair