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BDBM50004652 CHEMBL321605::[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(5-hydrazino-2,4-dinitro-phenyl)-amine

SMILES: CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

InChI Key: InChIKey=PJCKCTODZPQSKT-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 = 50004652   
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


(Mus musculus)
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair