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BDBM50061207 3-(2,4-Dichloro-phenyl)-N-[1-(2-dimethylamino-ethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-propionamide::CHEMBL128007

SMILES: CN(C)CCN1c2ccccc2C(=NC(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O)c1ccccc1

InChI Key: InChIKey=OQOSJOKFEMDDPM-UHFFFAOYNA-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 = 50061207   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061207
PNG
(3-(2,4-Dichloro-phenyl)-N-[1-(2-dimethylamino-ethy...)
Show SMILES CN(C)CCN1c2ccccc2C(=NC(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O)c1ccccc1
Show InChI InChI=1/C28H28Cl2N4O2/c1-33(2)16-17-34-24-11-7-6-10-22(24)26(20-8-4-3-5-9-20)32-27(28(34)36)31-25(35)15-13-19-12-14-21(29)18-23(19)30/h3-12,14,18,27H,13,15-17H2,1-2H3,(H,31,35)
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PC sid
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Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage clamp step from -50 to -10 mV.


J Med Chem 40: 3865-8 (1998)


Article DOI: 10.1021/jm970517u
BindingDB Entry DOI: 10.7270/Q2Q81C6H
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50061207
PNG
(3-(2,4-Dichloro-phenyl)-N-[1-(2-dimethylamino-ethy...)
Show SMILES CN(C)CCN1c2ccccc2C(=NC(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O)c1ccccc1
Show InChI InChI=1/C28H28Cl2N4O2/c1-33(2)16-17-34-24-11-7-6-10-22(24)26(20-8-4-3-5-9-20)32-27(28(34)36)31-25(35)15-13-19-12-14-21(29)18-23(19)30/h3-12,14,18,27H,13,15-17H2,1-2H3,(H,31,35)
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.


J Med Chem 40: 3865-8 (1998)


Article DOI: 10.1021/jm970517u
BindingDB Entry DOI: 10.7270/Q2Q81C6H
More data for this
Ligand-Target Pair