BDBM81898 (R)-Hexbutinol::(S)-Hexbutinol::CAS_2054312::CAS_2054314::NSC_2054312::NSC_2054314

SMILES: OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=IXXCPZGOFVCPCH-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 81898   

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))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	2.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	3.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	19.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	26.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	45.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	72.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM81898 ((R)-Hexbutinol | (S)-Hexbutinol | CAS_2054312 | CA...) Show SMILES OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	75.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 727-33 (1991) BindingDB Entry DOI: 10.7270/Q2VD6WZ3
					More data for this Ligand-Target Pair