BDBM50384286 CHEMBL2030626

SMILES: C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24

InChI Key: InChIKey=TWUZJTIHFYRNSV-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50384286   

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 (RAT)	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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 sigma1 receptor in rat brain homogenate				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	661	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 M3 muscarinic receptor				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	696	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				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	802	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				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.24E+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 alpha2B adrenergic receptor				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.26E+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 alpha2C adrenergic receptor				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.96E+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 M1 muscarinic receptor				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 DAT				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	UniProtKB/SwissProt 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 alpha1B adrenergic receptor				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50384286 (CHEMBL2030626) Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2	PDB UniProtKB/SwissProt 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 D3 dopamine receptor				Bioorg Med Chem Lett 22: 4059-63 (2012) Article DOI: 10.1016/j.bmcl.2012.04.077 BindingDB Entry DOI: 10.7270/Q2CF9R4T
					More data for this Ligand-Target Pair