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Articleid 50029461

Compile data set for download or QSAR
Found 6 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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50284760
PNG
(1-((3R,5R)-5-Azepan-1-yl-1-methyl-2-oxo-2,3,4,5-te...)
Show SMILES CN1c2ccccc2[C@@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1
Show InChI InChI=1S/C25H32N4O2/c1-18-10-9-11-19(16-18)26-25(31)27-21-17-23(29-14-7-3-4-8-15-29)20-12-5-6-13-22(20)28(2)24(21)30/h5-6,9-13,16,21,23H,3-4,7-8,14-15,17H2,1-2H3,(H2,26,27,31)/t21-,23-/m1/s1
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Article
n/an/a 6.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor in guinea pig cerebral cortex using [125 I ]- CCK-8 as radioligand.

Bioorg Med Chem Lett 5: 1421-1426 (1995)


Article DOI: 10.1016/0960-894X(95)00234-K
BindingDB Entry DOI: 10.7270/Q2TH8MN7
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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Article
n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor in guinea pig cerebral cortex using [125 I ]- CCK-8 as radioligand.

Bioorg Med Chem Lett 5: 1421-1426 (1995)


Article DOI: 10.1016/0960-894X(95)00234-K
BindingDB Entry DOI: 10.7270/Q2TH8MN7
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50284759
PNG
(1-((3R,5S)-5-Azepan-1-yl-1-methyl-2-oxo-2,3,4,5-te...)
Show SMILES CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1
Show InChI InChI=1S/C25H32N4O2/c1-18-10-9-11-19(16-18)26-25(31)27-21-17-23(29-14-7-3-4-8-15-29)20-12-5-6-13-22(20)28(2)24(21)30/h5-6,9-13,16,21,23H,3-4,7-8,14-15,17H2,1-2H3,(H2,26,27,31)/t21-,23+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against Cholecystokinin type B receptor in guinea pig cerebral cortex using [125 I ]- CCK-8 as rad...

Bioorg Med Chem Lett 5: 1421-1426 (1995)


Article DOI: 10.1016/0960-894X(95)00234-K
BindingDB Entry DOI: 10.7270/Q2TH8MN7
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50281723
PNG
(CHEMBL34335 | [2-Oxo-3-(3-m-tolyl-ureido)-2,3,4,5-...)
Show SMILES Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1
Show InChI InChI=1S/C24H29N3O4/c1-16-8-7-10-18(14-16)25-23(30)26-19-13-12-17-9-5-6-11-20(17)27(22(19)29)15-21(28)31-24(2,3)4/h5-11,14,19H,12-13,15H2,1-4H3,(H2,25,26,30)
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Article
n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor in guinea pig cerebral cortex using [125 I ]- CCK-8 as radioligand.

Bioorg Med Chem Lett 5: 1421-1426 (1995)


Article DOI: 10.1016/0960-894X(95)00234-K
BindingDB Entry DOI: 10.7270/Q2TH8MN7
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50284759
PNG
(1-((3R,5S)-5-Azepan-1-yl-1-methyl-2-oxo-2,3,4,5-te...)
Show SMILES CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1
Show InChI InChI=1S/C25H32N4O2/c1-18-10-9-11-19(16-18)26-25(31)27-21-17-23(29-14-7-3-4-8-15-29)20-12-5-6-13-22(20)28(2)24(21)30/h5-6,9-13,16,21,23H,3-4,7-8,14-15,17H2,1-2H3,(H2,26,27,31)/t21-,23+/m1/s1
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n/an/a 121n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against Cholecystokinin type A receptor in rat pancreas using [125 I ]- CCK-8 as radioligand.

Bioorg Med Chem Lett 5: 1421-1426 (1995)


Article DOI: 10.1016/0960-894X(95)00234-K
BindingDB Entry DOI: 10.7270/Q2TH8MN7
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50284760
PNG
(1-((3R,5R)-5-Azepan-1-yl-1-methyl-2-oxo-2,3,4,5-te...)
Show SMILES CN1c2ccccc2[C@@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1
Show InChI InChI=1S/C25H32N4O2/c1-18-10-9-11-19(16-18)26-25(31)27-21-17-23(29-14-7-3-4-8-15-29)20-12-5-6-13-22(20)28(2)24(21)30/h5-6,9-13,16,21,23H,3-4,7-8,14-15,17H2,1-2H3,(H2,26,27,31)/t21-,23-/m1/s1
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Article
n/an/a 646n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Cholecystokinin type A receptor in rat pancreas using [125 I ]- CCK-8 as radioligand.

Bioorg Med Chem Lett 5: 1421-1426 (1995)


Article DOI: 10.1016/0960-894X(95)00234-K
BindingDB Entry DOI: 10.7270/Q2TH8MN7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%