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SMILES: CN1c2ccccc2C(=NC(NC(=O)Nc2ccccc2[N+]([O-])=O)C1=O)c1ccccc1

InChI Key: InChIKey=OMMUFFDOCUDYMZ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50043563   
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 type A


(RAT)
BDBM50043563
PNG
(1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2ccccc2[N+]([O-])=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19N5O4/c1-27-18-13-7-5-11-16(18)20(15-9-3-2-4-10-15)25-21(22(27)29)26-23(30)24-17-12-6-8-14-19(17)28(31)32/h2-14,21H,1H3,(H2,24,26,30)
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PC cid
PC sid
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Similars

PubMed
n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue


J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50043563
PNG
(1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2ccccc2[N+]([O-])=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19N5O4/c1-27-18-13-7-5-11-16(18)20(15-9-3-2-4-10-15)25-21(22(27)29)26-23(30)24-17-12-6-8-14-19(17)28(31)32/h2-14,21H,1H3,(H2,24,26,30)
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor


J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair