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PubMed code 18289857

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
CCKBR


(RAT)
BDBM50411968
PNG
(CHEMBL259390)
Show SMILES OC(=O)c1cccc(NC(=O)CN2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(c3ccccc3)C2=O)c1
Show InChI InChI=1S/C29H27N5O6/c35-25(30-21-10-8-9-20(17-21)27(37)38)18-33-28(39)32(19-26(36)31-15-6-7-16-31)23-13-4-5-14-24(23)34(29(33)40)22-11-2-1-3-12-22/h1-5,8-14,17H,6-7,15-16,18-19H2,(H,30,35)(H,37,38)
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n/an/an/a 708n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411969
PNG
(CHEMBL258782)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CCCC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O
Show InChI InChI=1S/C32H38N6O6/c1-32(2,3)26(39)20-37-24-15-7-8-16-25(24)38(23-13-5-4-6-14-23)31(43)36(30(37)42)18-10-17-27(40)33-22-12-9-11-21(19-22)28-34-29(41)44-35-28/h7-9,11-12,15-16,19,23H,4-6,10,13-14,17-18,20H2,1-3H3,(H,33,40)(H,34,35,41)
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n/an/an/a 87.1n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411977
PNG
(CHEMBL260394)
Show SMILES CNc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C29H37N5O4/c1-29(2,3)25(35)18-32-23-15-8-9-16-24(23)34(22-13-6-5-7-14-22)28(38)33(27(32)37)19-26(36)31-21-12-10-11-20(17-21)30-4/h8-12,15-17,22,30H,5-7,13-14,18-19H2,1-4H3,(H,31,36)
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n/an/an/a 19.5n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411976
PNG
(CHEMBL259276)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CC(=O)Nc2cccc(CCC(O)=O)c2)C1=O
Show InChI InChI=1S/C31H38N4O6/c1-31(2,3)26(36)19-33-24-14-7-8-15-25(24)35(23-12-5-4-6-13-23)30(41)34(29(33)40)20-27(37)32-22-11-9-10-21(18-22)16-17-28(38)39/h7-11,14-15,18,23H,4-6,12-13,16-17,19-20H2,1-3H3,(H,32,37)(H,38,39)
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n/an/an/a 26.3n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411973
PNG
(CHEMBL410114)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O
Show InChI InChI=1S/C31H38N4O6/c1-31(2,3)26(36)19-33-24-15-8-9-16-25(24)35(23-13-6-4-5-7-14-23)30(41)34(29(33)40)20-27(37)32-22-12-10-11-21(17-22)18-28(38)39/h8-12,15-17,23H,4-7,13-14,18-20H2,1-3H3,(H,32,37)(H,38,39)
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n/an/an/a 43.6n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411974
PNG
(CHEMBL259557)
Show SMILES Cc1nc(cs1)-c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H37N5O4S/c1-21-33-25(20-42-21)22-11-10-12-23(17-22)34-29(39)19-36-30(40)35(18-28(38)32(2,3)4)26-15-8-9-16-27(26)37(31(36)41)24-13-6-5-7-14-24/h8-12,15-17,20,24H,5-7,13-14,18-19H2,1-4H3,(H,34,39)
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n/an/an/a 19.9n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411970
PNG
(CHEMBL404967)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O
Show InChI InChI=1S/C30H34N6O6/c1-30(2,3)24(37)17-34-22-14-7-8-15-23(22)36(21-12-5-4-6-13-21)29(41)35(28(34)40)18-25(38)31-20-11-9-10-19(16-20)26-32-27(39)42-33-26/h7-11,14-16,21H,4-6,12-13,17-18H2,1-3H3,(H,31,38)(H,32,33,39)
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n/an/an/a 44.7n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411975
PNG
(CHEMBL407340)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O
Show InChI InChI=1S/C31H36N6O6/c1-31(2,3)25(38)18-35-23-15-8-9-16-24(23)37(22-13-6-4-5-7-14-22)30(42)36(29(35)41)19-26(39)32-21-12-10-11-20(17-21)27-33-28(40)43-34-27/h8-12,15-17,22H,4-7,13-14,18-19H2,1-3H3,(H,32,39)(H,33,34,40)
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n/an/an/a 3.24n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411971
PNG
(CHEMBL264150)
Show SMILES CN(c1nnn[nH]1)c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C30H37N9O4/c1-30(2,3)25(40)18-37-23-15-8-9-16-24(23)39(21-12-6-5-7-13-21)29(43)38(28(37)42)19-26(41)31-20-11-10-14-22(17-20)36(4)27-32-34-35-33-27/h8-11,14-17,21H,5-7,12-13,18-19H2,1-4H3,(H,31,41)(H,32,33,34,35)
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n/an/an/a 12.6n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411972
PNG
(CHEMBL258863)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(SCC(O)=O)c2)C1=O
Show InChI InChI=1S/C31H38N4O6S/c1-31(2,3)26(36)18-33-24-15-8-9-16-25(24)35(22-12-6-4-5-7-13-22)30(41)34(29(33)40)19-27(37)32-21-11-10-14-23(17-21)42-20-28(38)39/h8-11,14-17,22H,4-7,12-13,18-20H2,1-3H3,(H,32,37)(H,38,39)
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n/an/an/a 4.47n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%