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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)
LigandTarget/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
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM81898
PNG
((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
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2.18n/an/an/an/an/an/an/an/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
PNG
((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
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3.02n/an/an/an/an/an/an/an/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
CHRM5


(Homo sapiens (Human))
BDBM81898
PNG
((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
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5.5n/an/an/an/an/an/an/an/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
PNG
((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
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19.5n/an/an/an/an/an/an/an/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
PNG
((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
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20.9n/an/an/an/an/an/an/an/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
PNG
((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
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26.3n/an/an/an/an/an/an/an/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
PNG
((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
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45.7n/an/an/an/an/an/an/an/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
PNG
((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
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72.4n/an/an/an/an/an/an/an/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
CHRM5


(Homo sapiens (Human))
BDBM81898
PNG
((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
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75.9n/an/an/an/an/an/an/an/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