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SMILES: CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1

InChI Key: InChIKey=BYULDQRRUINTAA-SWDTZWKESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50061218   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50061218
PNG
((E)-3-(2,4-Dichloro-phenyl)-N-((R)-1-methyl-2-oxo-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1
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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
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50061218
PNG
((E)-3-(2,4-Dichloro-phenyl)-N-((R)-1-methyl-2-oxo-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061218
PNG
((E)-3-(2,4-Dichloro-phenyl)-N-((R)-1-methyl-2-oxo-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1
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Article
PubMed
n/an/a 1.50E+3n/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