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BDBM50009291 CHEMBL75358::N-(4-Dimethylamino-but-2-ynyl)-N-methyl-acetamide

SMILES: CN(C)CC#CCN(C)C(C)=O

InChI Key: InChIKey=FPUURHVXHFAVKC-UHFFFAOYSA-N

Data: 2 KI  4 IC50

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 = 50009291   
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


(RAT)
BDBM50009291
PNG
(CHEMBL75358 | N-(4-Dimethylamino-but-2-ynyl)-N-met...)
Show SMILES CN(C)CC#CCN(C)C(C)=O
Show InChI InChI=1S/C9H16N2O/c1-9(12)11(4)8-6-5-7-10(2)3/h7-8H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.20n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50009291
PNG
(CHEMBL75358 | N-(4-Dimethylamino-but-2-ynyl)-N-met...)
Show SMILES CN(C)CC#CCN(C)C(C)=O
Show InChI InChI=1S/C9H16N2O/c1-9(12)11(4)8-6-5-7-10(2)3/h7-8H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50009291
PNG
(CHEMBL75358 | N-(4-Dimethylamino-but-2-ynyl)-N-met...)
Show SMILES CN(C)CC#CCN(C)C(C)=O
Show InChI InChI=1S/C9H16N2O/c1-9(12)11(4)8-6-5-7-10(2)3/h7-8H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 8.79E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50009291
PNG
(CHEMBL75358 | N-(4-Dimethylamino-but-2-ynyl)-N-met...)
Show SMILES CN(C)CC#CCN(C)C(C)=O
Show InChI InChI=1S/C9H16N2O/c1-9(12)11(4)8-6-5-7-10(2)3/h7-8H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 4.46E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from Muscarinic acetylcholine receptor M2 from rat heart homogenates


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50009291
PNG
(CHEMBL75358 | N-(4-Dimethylamino-but-2-ynyl)-N-met...)
Show SMILES CN(C)CC#CCN(C)C(C)=O
Show InChI InChI=1S/C9H16N2O/c1-9(12)11(4)8-6-5-7-10(2)3/h7-8H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 8.79E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB in genetically transformed mouse cell line (m1C2) transfected with Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50009291
PNG
(CHEMBL75358 | N-(4-Dimethylamino-but-2-ynyl)-N-met...)
Show SMILES CN(C)CC#CCN(C)C(C)=O
Show InChI InChI=1S/C9H16N2O/c1-9(12)11(4)8-6-5-7-10(2)3/h7-8H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair