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BDBM50012358 3-Acetylamino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-ethyl)-propionamide::CHEMBL422407

SMILES: CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

InChI Key: InChIKey=FTSYUMRTYVZTSI-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50012358   
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 M2


(RAT)
BDBM50012358
PNG
(3-Acetylamino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-...)
Show SMILES CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C25H31N7O4/c1-18(33)26-10-8-22(34)27-11-12-30-13-15-31(16-14-30)17-23(35)32-21-7-3-2-5-19(21)25(36)29-20-6-4-9-28-24(20)32/h2-7,9H,8,10-17H2,1H3,(H,26,33)(H,27,34)(H,29,36)
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.45E+4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


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


J Med Chem 34: 2133-45 (1991)


Article DOI: 10.1021/jm00111a032
BindingDB Entry DOI: 10.7270/Q2SJ1JKW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50012358
PNG
(3-Acetylamino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-...)
Show SMILES CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C25H31N7O4/c1-18(33)26-10-8-22(34)27-11-12-30-13-15-31(16-14-30)17-23(35)32-21-7-3-2-5-19(21)25(36)29-20-6-4-9-28-24(20)32/h2-7,9H,8,10-17H2,1H3,(H,26,33)(H,27,34)(H,29,36)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.94E+4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-N-methylscopolamine to muscarinic acetylcholine receptor M1 of transfected rat A9L cells.


J Med Chem 34: 2133-45 (1991)


Article DOI: 10.1021/jm00111a032
BindingDB Entry DOI: 10.7270/Q2SJ1JKW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50012358
PNG
(3-Acetylamino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-...)
Show SMILES CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C25H31N7O4/c1-18(33)26-10-8-22(34)27-11-12-30-13-15-31(16-14-30)17-23(35)32-21-7-3-2-5-19(21)25(36)29-20-6-4-9-28-24(20)32/h2-7,9H,8,10-17H2,1H3,(H,26,33)(H,27,34)(H,29,36)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-N-methylscopolamine to muscarinic acetylcholine receptor M3 of transfected rat A9L cells.


J Med Chem 34: 2133-45 (1991)


Article DOI: 10.1021/jm00111a032
BindingDB Entry DOI: 10.7270/Q2SJ1JKW
More data for this
Ligand-Target Pair