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Articleid 50029549

Compile data set for download or QSAR
Found 10 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))		BDBM50285466
PNG
(CHEMBL75490 | N-Benzoyl-3-[3-(5-cyclohexyl-1-methy...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)S(=O)(=O)NC(=O)c2ccccc2)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C30H31N5O5S/c1-35-25-18-9-8-17-24(25)26(20-11-4-2-5-12-20)32-27(29(35)37)33-30(38)31-22-15-10-16-23(19-22)41(39,40)34-28(36)21-13-6-3-7-14-21/h3,6-10,13-20,27H,2,4-5,11-12H2,1H3,(H,34,36)(H2,31,33,38)
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n/an/a 0.240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50285462
PNG
(CHEMBL305649 | L-736309 | N-{3-[3-((R)-5-Cyclohexy...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccccc2C)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C31H33N5O5S/c1-20-11-6-9-18-26(20)42(40,41)35-29(37)22-14-10-15-23(19-22)32-31(39)34-28-30(38)36(2)25-17-8-7-16-24(25)27(33-28)21-12-4-3-5-13-21/h6-11,14-19,21,28H,3-5,12-13H2,1-2H3,(H,35,37)(H2,32,34,39)/t28-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040666
PNG
(1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C24H28N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h6-9,12-15,17,22H,3-5,10-11H2,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50285464
PNG
(CHEMBL75019 | Propane-2-sulfonic acid 3-[3-((R)-5-...)
Show SMILES CC(C)S(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 |t:19|
Show InChI InChI=1S/C27H33N5O5S/c1-17(2)38(36,37)31-25(33)19-12-9-13-20(16-19)28-27(35)30-24-26(34)32(3)22-15-8-7-14-21(22)23(29-24)18-10-5-4-6-11-18/h7-9,12-18,24H,4-6,10-11H2,1-3H3,(H,31,33)(H2,28,30,35)/t24-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50285461
PNG
(CHEMBL441989 | N-Acetyl-3-[3-(5-cyclohexyl-1-methy...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)S(=O)(=O)NC(C)=O)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C25H29N5O5S/c1-16(31)29-36(34,35)19-12-8-11-18(15-19)26-25(33)28-23-24(32)30(2)21-14-7-6-13-20(21)22(27-23)17-9-4-3-5-10-17/h6-8,11-15,17,23H,3-5,9-10H2,1-2H3,(H,29,31)(H2,26,28,33)
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n/an/a 0.360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50285465
PNG
(CHEMBL75892 | N-{3-[3-(5-Cyclohexyl-1-methyl-2-oxo...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(=O)NS(C)(=O)=O)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C25H29N5O5S/c1-30-20-14-7-6-13-19(20)21(16-9-4-3-5-10-16)27-22(24(30)32)28-25(33)26-18-12-8-11-17(15-18)23(31)29-36(2,34)35/h6-8,11-16,22H,3-5,9-10H2,1-2H3,(H,29,31)(H2,26,28,33)
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n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50285463
PNG
(CHEMBL311154 | N-{3-[3-((R)-5-Cyclohexyl-1-methyl-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccccc2)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C30H31N5O5S/c1-35-25-18-9-8-17-24(25)26(20-11-4-2-5-12-20)32-27(29(35)37)33-30(38)31-22-14-10-13-21(19-22)28(36)34-41(39,40)23-15-6-3-7-16-23/h3,6-10,13-20,27H,2,4-5,11-12H2,1H3,(H,34,36)(H2,31,33,38)/t27-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50285463
PNG
(CHEMBL311154 | N-{3-[3-((R)-5-Cyclohexyl-1-methyl-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccccc2)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C30H31N5O5S/c1-35-25-18-9-8-17-24(25)26(20-11-4-2-5-12-20)32-27(29(35)37)33-30(38)31-22-14-10-13-21(19-22)28(36)34-41(39,40)23-15-6-3-7-16-23/h3,6-10,13-20,27H,2,4-5,11-12H2,1H3,(H,34,36)(H2,31,33,38)/t27-/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50285464
PNG
(CHEMBL75019 | Propane-2-sulfonic acid 3-[3-((R)-5-...)
Show SMILES CC(C)S(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 |t:19|
Show InChI InChI=1S/C27H33N5O5S/c1-17(2)38(36,37)31-25(33)19-12-9-13-20(16-19)28-27(35)30-24-26(34)32(3)22-15-8-7-14-21(22)23(29-24)18-10-5-4-6-11-18/h7-9,12-18,24H,4-6,10-11H2,1-3H3,(H,31,33)(H2,28,30,35)/t24-/m0/s1
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n/an/a 0.780n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50285467
PNG
(3-[3-(5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-b...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C24H26N4O4/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-24(32)25-17-11-7-10-16(14-17)23(30)31/h5-7,10-15,21H,2-4,8-9H2,1H3,(H,30,31)(H2,25,27,32)
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes

Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%