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BDBM50291393 CHEMBL168145::N-Ethyl-3-iodo-N-(4-{1-[2-oxo-2-(11-oxo-10,11-dihydro-dibenzo[b,e][1,4]diazepin-5-yl)-ethyl]-piperidin-4-yl}-butyl)-benzamide

SMILES: CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1cccc(I)c1

InChI Key: InChIKey=PYTIEHIIMNFIHE-UHFFFAOYSA-N

Data: 3 KI

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 = 50291393   
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 M3


(Homo sapiens (Human))
BDBM50291393
PNG
(CHEMBL168145 | N-Ethyl-3-iodo-N-(4-{1-[2-oxo-2-(11...)
Show SMILES CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1cccc(I)c1
Show InChI InChI=1S/C33H37IN4O3/c1-2-37(33(41)25-11-9-12-26(34)22-25)19-8-7-10-24-17-20-36(21-18-24)23-31(39)38-29-15-5-3-13-27(29)32(40)35-28-14-4-6-16-30(28)38/h3-6,9,11-16,22,24H,2,7-8,10,17-21,23H2,1H3,(H,35,40)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity against muscarinic receptor subtype 3 (M3)


Bioorg Med Chem Lett 7: 799-804 (1997)


Article DOI: 10.1016/S0960-894X(97)00109-1
BindingDB Entry DOI: 10.7270/Q22N529J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50291393
PNG
(CHEMBL168145 | N-Ethyl-3-iodo-N-(4-{1-[2-oxo-2-(11...)
Show SMILES CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1cccc(I)c1
Show InChI InChI=1S/C33H37IN4O3/c1-2-37(33(41)25-11-9-12-26(34)22-25)19-8-7-10-24-17-20-36(21-18-24)23-31(39)38-29-15-5-3-13-27(29)32(40)35-28-14-4-6-16-30(28)38/h3-6,9,11-16,22,24H,2,7-8,10,17-21,23H2,1H3,(H,35,40)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity against muscarinic receptor subtype 1 (M1)


Bioorg Med Chem Lett 7: 799-804 (1997)


Article DOI: 10.1016/S0960-894X(97)00109-1
BindingDB Entry DOI: 10.7270/Q22N529J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50291393
PNG
(CHEMBL168145 | N-Ethyl-3-iodo-N-(4-{1-[2-oxo-2-(11...)
Show SMILES CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1cccc(I)c1
Show InChI InChI=1S/C33H37IN4O3/c1-2-37(33(41)25-11-9-12-26(34)22-25)19-8-7-10-24-17-20-36(21-18-24)23-31(39)38-29-15-5-3-13-27(29)32(40)35-28-14-4-6-16-30(28)38/h3-6,9,11-16,22,24H,2,7-8,10,17-21,23H2,1H3,(H,35,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
111n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity against muscarinic receptor subtype 2 (M2)


Bioorg Med Chem Lett 7: 799-804 (1997)


Article DOI: 10.1016/S0960-894X(97)00109-1
BindingDB Entry DOI: 10.7270/Q22N529J
More data for this
Ligand-Target Pair