Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 227.3 BDBM50352153

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50352153 (CHEMBL1824784) Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting				Bioorg Med Chem Lett 21: 5289-92 (2011) Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50352153 (CHEMBL1824784) Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of M4 muscarinic receptor by NIMH PDSP				Bioorg Med Chem Lett 21: 5289-92 (2011) Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50352153 (CHEMBL1824784) Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of M2 muscarinic receptor by NIMH PDSP				Bioorg Med Chem Lett 21: 5289-92 (2011) Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50352153 (CHEMBL1824784) Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of M5 muscarinic receptor by NIMH PDSP				Bioorg Med Chem Lett 21: 5289-92 (2011) Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50352153 (CHEMBL1824784) Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of H1 receptor by NIMH PDSP				Bioorg Med Chem Lett 21: 5289-92 (2011) Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50352153 (CHEMBL1824784) Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of NET transporter by NIMH PDSP				Bioorg Med Chem Lett 21: 5289-92 (2011) Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV
					More data for this Ligand-Target Pair