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BDBM50040672 1-(1-Methyl-2-oxo-5-piperidin-1-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea::CHEMBL350853

SMILES: CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCC1

InChI Key: InChIKey=BDZOCUCJHUMDAN-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50040672   
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
Cholecystokinin receptor


(RAT)
BDBM50040672
PNG
(1-(1-Methyl-2-oxo-5-piperidin-1-yl-2,3-dihydro-1H-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCC1 |c:9|
Show InChI InChI=1S/C23H27N5O2/c1-16-9-8-10-17(15-16)24-23(30)26-20-22(29)27(2)19-12-5-4-11-18(19)21(25-20)28-13-6-3-7-14-28/h4-5,8-12,15,20H,3,6-7,13-14H2,1-2H3,(H2,24,26,30)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 17n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.


J Med Chem 37: 719-21 (1994)


BindingDB Entry DOI: 10.7270/Q2QN67FP
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50040672
PNG
(1-(1-Methyl-2-oxo-5-piperidin-1-yl-2,3-dihydro-1H-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCC1 |c:9|
Show InChI InChI=1S/C23H27N5O2/c1-16-9-8-10-17(15-16)24-23(30)26-20-22(29)27(2)19-12-5-4-11-18(19)21(25-20)28-13-6-3-7-14-28/h4-5,8-12,15,20H,3,6-7,13-14H2,1-2H3,(H2,24,26,30)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.70n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding activity against Cholecystokinin type B receptor from guinea pig cortex using [125]BH CCK-8s as radioligand.


J Med Chem 37: 719-21 (1994)


BindingDB Entry DOI: 10.7270/Q2QN67FP
More data for this
Ligand-Target Pair