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PubMed code 19271701

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50413477
PNG
(CHEMBL475226)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(I)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H19IN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m1/s1
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Article
PubMed
1n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Displacement of [125I](R)-1-(3-iodophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1Hbenzo[e][1,4]diazepin-3-yl)urea from human CCK2 receptor expresse...


J Med Chem 52: 2138-47 (2009)


Article DOI: 10.1021/jm801439x
BindingDB Entry DOI: 10.7270/Q22B908P
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50413478
PNG
(CHEMBL515288)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(I)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H19IN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1
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Article
PubMed
3.72n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Displacement of [125I](S)-1-(3-iodophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea from human CCK1 receptor express...


J Med Chem 52: 2138-47 (2009)


Article DOI: 10.1021/jm801439x
BindingDB Entry DOI: 10.7270/Q22B908P
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50413477
PNG
(CHEMBL475226)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(I)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H19IN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m1/s1
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Article
PubMed
174n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Displacement of [125I](S)-1-(3-iodophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea from human CCK1 receptor express...


J Med Chem 52: 2138-47 (2009)


Article DOI: 10.1021/jm801439x
BindingDB Entry DOI: 10.7270/Q22B908P
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50413478
PNG
(CHEMBL515288)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(I)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H19IN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
537n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Displacement of [125I](R)-1-(3-iodophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1Hbenzo[e][1,4]diazepin-3-yl)urea from human CCK2 receptor expresse...


J Med Chem 52: 2138-47 (2009)


Article DOI: 10.1021/jm801439x
BindingDB Entry DOI: 10.7270/Q22B908P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%