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3 similar compounds to monomer 50229051

Compile data set for download or QSAR
Wt: 235.3
BDBM50229047
Wt: 367.4
BDBM50229055
Wt: 233.3
BDBM50229029

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50229047,50229055,50229029   
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)
BDBM50229047
PNG
(CHEMBL159628)
Show SMILES CCCCc1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C13H21N3O/c1-2-3-4-12-14-13(17-15-12)11-9-16-7-5-10(11)6-8-16/h10-11H,2-9H2,1H3
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229055
PNG
(CHEMBL161670)
Show SMILES OC(=O)C(O)=O.CCCCCCCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C16H27N3O.C2H2O4/c1-3-4-5-6-7-8-11-15-17-16(20-18-15)14-10-9-12-19(2)13-14;3-1(4)2(5)6/h10H,3-9,11-13H2,1-2H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229055
PNG
(CHEMBL161670)
Show SMILES OC(=O)C(O)=O.CCCCCCCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C16H27N3O.C2H2O4/c1-3-4-5-6-7-8-11-15-17-16(20-18-15)14-10-9-12-19(2)13-14;3-1(4)2(5)6/h10H,3-9,11-13H2,1-2H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229029
PNG
(CHEMBL4065759)
Show SMILES CCC(C)(C)C(=O)N(C)C(C)c1ccccc1
Show InChI InChI=1S/C15H23NO/c1-6-15(3,4)14(17)16(5)12(2)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3
PDB

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UniChem

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229047
PNG
(CHEMBL159628)
Show SMILES CCCCc1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C13H21N3O/c1-2-3-4-12-14-13(17-15-12)11-9-16-7-5-10(11)6-8-16/h10-11H,2-9H2,1H3
PDB
MMDB

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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229047
PNG
(CHEMBL159628)
Show SMILES CCCCc1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C13H21N3O/c1-2-3-4-12-14-13(17-15-12)11-9-16-7-5-10(11)6-8-16/h10-11H,2-9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229055
PNG
(CHEMBL161670)
Show SMILES OC(=O)C(O)=O.CCCCCCCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C16H27N3O.C2H2O4/c1-3-4-5-6-7-8-11-15-17-16(20-18-15)14-10-9-12-19(2)13-14;3-1(4)2(5)6/h10H,3-9,11-13H2,1-2H3;(H,3,4)(H,5,6)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.46E+3n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair