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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin B receptor' AND taxid = 9615   
Target
(Institution)
LigandTarget
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 B receptor


(Dog)
BDBM50411344
PNG
(CHEMBL389711)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3ccn(CC(O)=O)c3c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C32H37N5O5/c1-32(2,3)27(38)18-36-25-12-8-7-11-24(25)30(22-9-5-4-6-10-22)34-37(31(36)42)19-28(39)33-23-14-13-21-15-16-35(20-29(40)41)26(21)17-23/h7-8,11-17,22H,4-6,9-10,18-20H2,1-3H3,(H,33,39)(H,40,41)
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2.40n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411348
PNG
(CHEMBL226533)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nnn[nH]2)C1=O)C1CCCCC1
Show InChI InChI=1S/C29H34N8O3/c1-29(2,3)24(38)17-36-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)33-37(28(36)40)18-25(39)30-21-13-9-12-20(16-21)27-31-34-35-32-27/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,30,39)(H,31,32,34,35)
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3.20n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411336
PNG
(CHEMBL227330)
Show SMILES OC(=O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C32H38N4O5/c37-28(23-10-4-5-11-23)20-35-27-16-7-6-15-26(27)31(24-12-2-1-3-13-24)34-36(32(35)41)21-29(38)33-25-14-8-9-22(19-25)17-18-30(39)40/h6-9,14-16,19,23-24H,1-5,10-13,17-18,20-21H2,(H,33,38)(H,39,40)
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4.30n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411339
PNG
(CHEMBL227276)
Show SMILES O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C31H34N6O5/c38-26(20-9-4-5-10-20)18-36-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)34-37(31(36)41)19-27(39)32-23-14-8-13-22(17-23)29-33-30(40)42-35-29/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H,32,39)(H,33,35,40)
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4.5n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411341
PNG
(CHEMBL226583)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H34N6O5/c1-30(2,3)24(37)17-35-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)33-36(29(35)40)18-25(38)31-21-13-9-12-20(16-21)27-32-28(39)41-34-27/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,31,38)(H,32,34,39)
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4.5n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411338
PNG
(CHEMBL227254)
Show SMILES CN(c1nnn[nH]1)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)25(40)18-38-24-16-9-8-15-23(24)27(20-11-6-5-7-12-20)34-39(29(38)42)19-26(41)31-21-13-10-14-22(17-21)37(4)28-32-35-36-33-28/h8-10,13-17,20H,5-7,11-12,18-19H2,1-4H3,(H,31,41)(H,32,33,35,36)
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4.70n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411342
PNG
(CHEMBL227333)
Show SMILES OC(=O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5S/c36-27(21-9-4-5-10-21)18-34-26-16-7-6-15-25(26)30(22-11-2-1-3-12-22)33-35(31(34)40)19-28(37)32-23-13-8-14-24(17-23)41-20-29(38)39/h6-8,13-17,21-22H,1-5,9-12,18-20H2,(H,32,37)(H,38,39)
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4.80n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411346
PNG
(CHEMBL226673)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)32-34(29(33)39)19-26(36)31-22-13-9-10-20(16-22)17-27(37)38/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,36)(H,37,38)
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5.20n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411345
PNG
(CHEMBL389639)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(SCC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N4O5S/c1-30(2,3)25(35)17-33-24-15-8-7-14-23(24)28(20-10-5-4-6-11-20)32-34(29(33)39)18-26(36)31-21-12-9-13-22(16-21)40-19-27(37)38/h7-9,12-16,20H,4-6,10-11,17-19H2,1-3H3,(H,31,36)(H,37,38)
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5.80n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411340
PNG
(CHEMBL387948)
Show SMILES OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5/c36-27(22-10-4-5-11-22)19-34-26-16-7-6-15-25(26)30(23-12-2-1-3-13-23)33-35(31(34)40)20-28(37)32-24-14-8-9-21(17-24)18-29(38)39/h6-9,14-17,22-23H,1-5,10-13,18-20H2,(H,32,37)(H,38,39)
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6.30n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411347
PNG
(CHEMBL226620)
Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C30H34N4O5/c35-26(20-9-4-5-10-20)18-33-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)32-34(30(33)39)19-27(36)31-23-14-8-13-22(17-23)29(37)38/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H,31,36)(H,37,38)
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7.10n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50410544
PNG
(CHEMBL390519)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2COC23CC4CC(CC(C4)C2)C3)C2CCCCC2)c1
Show InChI InChI=1S/C28H35N3O4/c32-26(29-22-8-4-7-21(12-22)27(33)34)24-23(30-25(31-24)20-5-2-1-3-6-20)16-35-28-13-17-9-18(14-28)11-19(10-17)15-28/h4,7-8,12,17-20H,1-3,5-6,9-11,13-16H2,(H,29,32)(H,30,31)(H,33,34)
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11n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50410847
PNG
(CHEMBL205455)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C29H34N4O5/c1-29(2,3)24(34)17-32-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)31-33(28(32)38)18-25(35)30-21-13-9-12-20(16-21)27(36)37/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,30,35)(H,36,37)
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12n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/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/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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23n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Eur J Pharmacol 162: 273-80 (1989)

More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50411337
PNG
(CHEMBL390276)
Show SMILES Cc1ccccc1C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C32H32N4O5/c1-21-10-5-6-15-25(21)28(37)19-35-27-17-8-7-16-26(27)30(22-11-3-2-4-12-22)34-36(32(35)41)20-29(38)33-24-14-9-13-23(18-24)31(39)40/h5-10,13-18,22H,2-4,11-12,19-20H2,1H3,(H,33,38)(H,39,40)
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26n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/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/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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39n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Eur J Pharmacol 162: 273-80 (1989)

More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/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/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Eur J Pharmacol 162: 273-80 (1989)

More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50410564
PNG
(CHEMBL425574)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2(C)CCCCC2)cc1C(O)=O
Show InChI InChI=1S/C31H41N3O3/c1-19-6-7-23(15-24(19)28(36)37)32-27(35)26-25(33-29(34-26)30(2)9-4-3-5-10-30)8-11-31-16-20-12-21(17-31)14-22(13-20)18-31/h6-7,15,20-22H,3-5,8-14,16-18H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)
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n/an/a 11n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50410544
PNG
(CHEMBL390519)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2COC23CC4CC(CC(C4)C2)C3)C2CCCCC2)c1
Show InChI InChI=1S/C28H35N3O4/c32-26(29-22-8-4-7-21(12-22)27(33)34)24-23(30-25(31-24)20-5-2-1-3-6-20)16-35-28-13-17-9-18(14-28)11-19(10-17)15-28/h4,7-8,12,17-20H,1-3,5-6,9-11,13-16H2,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 19n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50410557
PNG
(CHEMBL196133)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2CCCCC2)c1
Show InChI InChI=1S/C29H37N3O3/c33-27(30-23-8-4-7-22(14-23)28(34)35)25-24(31-26(32-25)21-5-2-1-3-6-21)9-10-29-15-18-11-19(16-29)13-20(12-18)17-29/h4,7-8,14,18-21H,1-3,5-6,9-13,15-17H2,(H,30,33)(H,31,32)(H,34,35)
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n/an/a 30n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50410551
PNG
(CHEMBL195007)
Show SMILES Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2ccc(C)c(c2)C(O)=O)c(C)c1
Show InChI InChI=1S/C33H39N3O3/c1-18-9-20(3)28(21(4)10-18)30-35-27(7-8-33-15-22-11-23(16-33)13-24(12-22)17-33)29(36-30)31(37)34-25-6-5-19(2)26(14-25)32(38)39/h5-6,9-10,14,22-24H,7-8,11-13,15-17H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)
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n/an/a 40n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Dog)
BDBM50410556
PNG
(CHEMBL197780)
Show SMILES Cc1cc(C)c(-c2nc(COC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2cccc(c2)C(O)=O)c(C)c1
Show InChI InChI=1S/C31H35N3O4/c1-17-7-18(2)26(19(3)8-17)28-33-25(16-38-31-13-20-9-21(14-31)11-22(10-20)15-31)27(34-28)29(35)32-24-6-4-5-23(12-24)30(36)37/h4-8,12,20-22H,9-11,13-16H2,1-3H3,(H,32,35)(H,33,34)(H,36,37)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


Citation and Details
More data for this
Ligand-Target Pair