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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50281711'   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281711
PNG
(1-(4-Chloro-phenyl)-3-((R)-1-methyl-2-oxo-5-phenyl...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-23(30)25-17-13-11-16(24)12-14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1
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Article
n/an/a 5.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its activity to inhibit the binding of [125I]-CCK-33 to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 867-870 (1993)


Article DOI: 10.1016/S0960-894X(00)80682-4
BindingDB Entry DOI: 10.7270/Q28S4PTK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281711
PNG
(1-(4-Chloro-phenyl)-3-((R)-1-methyl-2-oxo-5-phenyl...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-23(30)25-17-13-11-16(24)12-14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands


J Med Chem 32: 13-6 (1989)


BindingDB Entry DOI: 10.7270/Q2MC90MG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281711
PNG
(1-(4-Chloro-phenyl)-3-((R)-1-methyl-2-oxo-5-phenyl...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-23(30)25-17-13-11-16(24)12-14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands


J Med Chem 32: 13-6 (1989)


BindingDB Entry DOI: 10.7270/Q2MC90MG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281711
PNG
(1-(4-Chloro-phenyl)-3-((R)-1-methyl-2-oxo-5-phenyl...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-23(30)25-17-13-11-16(24)12-14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1
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Article
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its activity to inhibit the binding of [125I]-gastrin to gastric glands (gastrin) in guinea pig


Bioorg Med Chem Lett 3: 867-870 (1993)


Article DOI: 10.1016/S0960-894X(00)80682-4
BindingDB Entry DOI: 10.7270/Q28S4PTK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281711
PNG
(1-(4-Chloro-phenyl)-3-((R)-1-methyl-2-oxo-5-phenyl...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-23(30)25-17-13-11-16(24)12-14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1
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n/an/a 20n/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