BDBM81959 CAS_115-63-9::Hexocyclium

SMILES: C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1

InChI Key: InChIKey=ZRYHPQCHHOKSMD-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 81959   

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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM81959 (CAS_115-63-9 | Hexocyclium) Show SMILES C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by PDSP Ki Database									Mol Pharmacol 35: 469-76 (1989) BindingDB Entry DOI: 10.7270/Q2V69H2Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM81959 (CAS_115-63-9 | Hexocyclium) Show SMILES C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by PDSP Ki Database									Mol Pharmacol 35: 469-76 (1989) BindingDB Entry DOI: 10.7270/Q2V69H2Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM81959 (CAS_115-63-9 | Hexocyclium) Show SMILES C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by PDSP Ki Database									Mol Pharmacol 35: 469-76 (1989) BindingDB Entry DOI: 10.7270/Q2V69H2Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM81959 (CAS_115-63-9 | Hexocyclium) Show SMILES C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by PDSP Ki Database									Mol Pharmacol 35: 469-76 (1989) BindingDB Entry DOI: 10.7270/Q2V69H2Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM81959 (CAS_115-63-9 | Hexocyclium) Show SMILES C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by PDSP Ki Database									Mol Pharmacol 35: 469-76 (1989) BindingDB Entry DOI: 10.7270/Q2V69H2Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM81959 (CAS_115-63-9 | Hexocyclium) Show SMILES C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by PDSP Ki Database									Mol Pharmacol 35: 469-76 (1989) BindingDB Entry DOI: 10.7270/Q2V69H2Z
					More data for this Ligand-Target Pair