BindingDB logo
myBDB logout

BDBM50292439 CHEMBL479224::N-(1,13-diguanidino-5-oxotridecan-4-yl)acetamide

SMILES: [#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]

InChI Key: InChIKey=OFODYLDIASSKRR-UHFFFAOYNA-N

Data: 3 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 3 hits for monomerid = 50292439   
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 M1


(Homo sapiens (Human))
BDBM50292439
PNG
(CHEMBL479224 | N-(1,13-diguanidino-5-oxotridecan-4...)
Show SMILES CC(=O)NC(CCCN=C(N)N)C(=O)CCCCCCCCN=C(N)N
Show InChI InChI=1/C17H35N7O2/c1-13(25)24-14(9-8-12-23-17(20)21)15(26)10-6-4-2-3-5-7-11-22-16(18)19/h14H,2-12H2,1H3,(H,24,25)(H4,18,19,22)(H4,20,21,23)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of QNB from muscarinic M1 receptor


J Nat Prod 58: 843-847 (1995)


Article DOI: 10.1021/np50120a004
BindingDB Entry DOI: 10.7270/Q2FJ2GS1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50292439
PNG
(CHEMBL479224 | N-(1,13-diguanidino-5-oxotridecan-4...)
Show SMILES CC(=O)NC(CCCN=C(N)N)C(=O)CCCCCCCCN=C(N)N
Show InChI InChI=1/C17H35N7O2/c1-13(25)24-14(9-8-12-23-17(20)21)15(26)10-6-4-2-3-5-7-11-22-16(18)19/h14H,2-12H2,1H3,(H,24,25)(H4,18,19,22)(H4,20,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 910n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of QNB from muscarinic M4 receptor


J Nat Prod 58: 843-847 (1995)


Article DOI: 10.1021/np50120a004
BindingDB Entry DOI: 10.7270/Q2FJ2GS1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50292439
PNG
(CHEMBL479224 | N-(1,13-diguanidino-5-oxotridecan-4...)
Show SMILES CC(=O)NC(CCCN=C(N)N)C(=O)CCCCCCCCN=C(N)N
Show InChI InChI=1/C17H35N7O2/c1-13(25)24-14(9-8-12-23-17(20)21)15(26)10-6-4-2-3-5-7-11-22-16(18)19/h14H,2-12H2,1H3,(H,24,25)(H4,18,19,22)(H4,20,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 960n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of QNB from muscarinic M2 receptor


J Nat Prod 58: 843-847 (1995)


Article DOI: 10.1021/np50120a004
BindingDB Entry DOI: 10.7270/Q2FJ2GS1
More data for this
Ligand-Target Pair