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BDBM50043549 1-(3-Ethynyl-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea::CHEMBL424076

SMILES: CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C#C)C1=O)c1ccccc1

InChI Key: InChIKey=AIVDZTLFSHLRMS-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50043549   
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


(Homo sapiens (Human))
BDBM50043549
PNG
(1-(3-Ethynyl-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C#C)C1=O)c1ccccc1
Show InChI InChI=1/C25H20N4O2/c1-3-17-10-9-13-19(16-17)26-25(31)28-23-24(30)29(2)21-15-8-7-14-20(21)22(27-23)18-11-5-4-6-12-18/h1,4-16,23H,2H3,(H2,26,28,31)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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)


Article DOI: 10.1021/jm00078a018
BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50043549
PNG
(1-(3-Ethynyl-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C#C)C1=O)c1ccccc1
Show InChI InChI=1/C25H20N4O2/c1-3-17-10-9-13-19(16-17)26-25(31)28-23-24(30)29(2)21-15-8-7-14-20(21)22(27-23)18-11-5-4-6-12-18/h1,4-16,23H,2H3,(H2,26,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 402n/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)


Article DOI: 10.1021/jm00078a018
BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair