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BDBM36173 1-butanol::1-butanol-d10::CHEMBL14245

SMILES: CCCCO

InChI Key: InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N

Data: 1 KI  6 ITC

PDB links: 17 PDB IDs match this monomer.

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 1 hit for monomerid = 36173   
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
Choline Acetyltransferase


(RAT)
BDBM36173
PNG
(1-butanol | 1-butanol-d10 | CHEMBL14245)
Show InChI InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PubMed
4.70E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(com)


Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 36173
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM36173
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
-2.590.0214-2.601.906.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM36173
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
-2.62-0.0641-2.561.926.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM36173
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
-2.540.0427-2.581.866.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM36173
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
-2.59-0.150-2.441.906.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36173
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
-1.65-2.671.031.206.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM4
JPEG
BDBM36173
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
-2.600.214-2.771.906.9025



NIST





J Phys Chem 98: 10282-10288 (1994)