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SMILES: Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O

InChI Key: InChIKey=JCYAYKQSZYSTGG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50111626   

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))	BDBM50111626 (3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...) Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its binding affinity towards Sigma opioid receptor type 1 by using [3H]- (+)-pentazocine as radioligand				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50111626 (3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...) Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50111626 (3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...) Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50111626 (3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...) Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity for Sigma opioid receptor by displacement of [3H]DTG				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50111626 (3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...) Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- telenzepine from rat brain ...				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50111626 (3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...) Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50111626 (3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...) Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from rat cortex 5-HT3 receptor				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50111626 (3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...) Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair