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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50041217   
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
Cholecystokinin receptor type A


(RAT)
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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n/an/a 0.0794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50367639
PNG
(CHEMBL1907855)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C25H19FN4O2/c1-30-21-13-7-4-10-17(21)22(16-9-3-5-11-18(16)26)28-23(25(30)32)29-24(31)20-14-15-8-2-6-12-19(15)27-20/h2-14,23,27H,1H3,(H,29,31)/t23-/m1/s1
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n/an/a 0.603n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019231
PNG
(CHEMBL73946 | N-[5-(2-Fluoro-phenyl)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cccc(I)c2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-12-5-3-10-17(19)20(16-9-2-4-11-18(16)24)26-21(23(28)30)27-22(29)14-7-6-8-15(25)13-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 0.759n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019181
PNG
((S)-4-Bromo-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17BrFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 0.794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019259
PNG
((S)-N-[5-(2-Fluoro-phenyl)-1-methyl-2-oxo-2,3-dihy...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(I)cc2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)24)26-21(23(28)30)27-22(29)14-10-12-15(25)13-11-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 0.794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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n/an/a 0.794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019210
PNG
(2-Amino-4-chloro-N-(1-methyl-2-oxo-5-phenyl-2,3-di...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2N)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-10-6-5-9-17(19)20(14-7-3-2-4-8-14)26-21(23(28)30)27-22(29)16-12-11-15(24)13-18(16)25/h2-13,21H,25H2,1H3,(H,27,29)
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n/an/a 0.891n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019204
PNG
((R)-4-Bromo-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)
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n/an/a 1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019222
PNG
(CHEMBL73699 | N-(1-Methyl-2-oxo-5-phenyl-2,3-dihyd...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H18F3N3O2/c1-30-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)28-21(23(30)32)29-22(31)16-11-13-17(14-12-16)24(25,26)27/h2-14,21H,1H3,(H,29,31)
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n/an/a 1.29n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019207
PNG
(1-Methyl-1H-indole-2-carboxylic acid [5-(2-fluoro-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3n2C)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C26H21FN4O2/c1-30-20-13-7-3-9-16(20)15-22(30)25(32)29-24-26(33)31(2)21-14-8-5-11-18(21)23(28-24)17-10-4-6-12-19(17)27/h3-15,24H,1-2H3,(H,29,32)
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n/an/a 1.38n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019187
PNG
((R)-1H-Indole-2-carboxylic acid [5-(2-fluoro-pheny...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C25H19FN4O2/c1-30-21-13-7-4-10-17(21)22(16-9-3-5-11-18(16)26)28-23(25(30)32)29-24(31)20-14-15-8-2-6-12-19(15)27-20/h2-14,23,27H,1H3,(H,29,31)
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n/an/a 1.41n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019191
PNG
(1-Methyl-1H-indole-2-carboxylic acid (1-methyl-2-o...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3n2C)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)
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n/an/a 1.41n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019260
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H17FN4O2/c25-17-10-4-2-8-15(17)21-16-9-3-6-12-19(16)27-24(31)22(28-21)29-23(30)20-13-14-7-1-5-11-18(14)26-20/h1-13,22,26H,(H,27,31)(H,29,30)
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n/an/a 2.09n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019174
PNG
((R)-4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17ClFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 2.29n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019174
PNG
((R)-4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17ClFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 2.29n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50407251
PNG
(CHEMBL2092869)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)/t21-/m1/s1
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n/an/a 2.51n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019268
PNG
((S)-3-Bromo-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cccc(Br)c2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17BrFN3O2/c1-28-19-12-5-3-10-17(19)20(16-9-2-4-11-18(16)25)26-21(23(28)30)27-22(29)14-7-6-8-15(24)13-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 3.47n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019252
PNG
(1H-Indole-2-carboxylic acid (2-oxo-5-phenyl-2,3-di...)
Show SMILES O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 |t:4|
Show InChI InChI=1S/C24H18N4O2/c29-23(20-14-16-10-4-6-12-18(16)25-20)28-22-24(30)26-19-13-7-5-11-17(19)21(27-22)15-8-2-1-3-9-15/h1-14,22,25H,(H,26,30)(H,28,29)
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n/an/a 4.57n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019249
PNG
(1-Methyl-1H-indole-2-carboxylic acid [5-(2-fluoro-...)
Show SMILES Cn1c(cc2ccccc12)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16|
Show InChI InChI=1S/C25H19FN4O2/c1-30-20-13-7-2-8-15(20)14-21(30)24(31)29-23-25(32)27-19-12-6-4-10-17(19)22(28-23)16-9-3-5-11-18(16)26/h2-14,23H,1H3,(H,27,32)(H,29,31)
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n/an/a 4.68n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019217
PNG
(5-Fluoro-1H-indole-2-carboxylic acid [5-(2-fluoro-...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16|
Show InChI InChI=1S/C24H16F2N4O2/c25-14-9-10-18-13(11-14)12-20(27-18)23(31)30-22-24(32)28-19-8-4-2-6-16(19)21(29-22)15-5-1-3-7-17(15)26/h1-12,22,27H,(H,28,32)(H,30,31)
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n/an/a 5.01n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019263
PNG
(4-Chloro-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C22H15ClFN3O2/c23-14-11-9-13(10-12-14)21(28)27-20-22(29)25-18-8-4-2-6-16(18)19(26-20)15-5-1-3-7-17(15)24/h1-12,20H,(H,25,29)(H,27,28)
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n/an/a 6.03n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019240
PNG
(4-Chloro-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H18ClN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)
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n/an/a 8.32n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019258
PNG
(Benzofuran-2-carboxylic acid [5-(2-fluoro-phenyl)-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3o2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H16FN3O3/c25-17-10-4-2-8-15(17)21-16-9-3-5-11-18(16)26-24(30)22(27-21)28-23(29)20-13-14-7-1-6-12-19(14)31-20/h1-13,22H,(H,26,30)(H,28,29)
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n/an/a 8.91n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50367624
PNG
(CHEMBL1907841)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C24H17F4N3O2/c1-31-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)29-21(23(31)33)30-22(32)14-10-12-15(13-11-14)24(26,27)28/h2-13,21H,1H3,(H,30,32)/t21-/m1/s1
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n/an/a 11.0n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50407253
PNG
(CHEMBL117158)
Show SMILES Fc1ccccc1C1=NC(NC(=O)\C=C/c2ccccc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN3O2/c25-19-12-6-4-10-17(19)22-18-11-5-7-13-20(18)26-24(30)23(28-22)27-21(29)15-14-16-8-2-1-3-9-16/h1-15,23H,(H,26,30)(H,27,29)/b15-14-
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n/an/a 11.0n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019209
PNG
(CHEMBL73561 | N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-dih...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C23H15F4N3O2/c24-17-7-3-1-5-15(17)19-16-6-2-4-8-18(16)28-22(32)20(29-19)30-21(31)13-9-11-14(12-10-13)23(25,26)27/h1-12,20H,(H,28,32)(H,30,31)
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n/an/a 15.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50367627
PNG
(CHEMBL1907849)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C27H26FN3O2/c1-27(2,3)18-15-13-17(14-16-18)25(32)30-24-26(33)31(4)22-12-8-6-10-20(22)23(29-24)19-9-5-7-11-21(19)28/h5-16,24H,1-4H3,(H,30,32)/t24-/m1/s1
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n/an/a 19.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019188
PNG
(CHEMBL422951 | Naphthalene-2-carboxylic acid (2-ox...)
Show SMILES O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc2ccccc2c1 |t:4|
Show InChI InChI=1S/C26H19N3O2/c30-25(20-15-14-17-8-4-5-11-19(17)16-20)29-24-26(31)27-22-13-7-6-12-21(22)23(28-24)18-9-2-1-3-10-18/h1-16,24H,(H,27,31)(H,29,30)
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n/an/a 19.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019175
PNG
(CHEMBL305951 | N-[5-(2-Fluoro-phenyl)-1-methyl-2-o...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C24H17F4N3O2/c1-31-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)29-21(23(31)33)30-22(32)14-10-12-15(13-11-14)24(26,27)28/h2-13,21H,1H3,(H,30,32)
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n/an/a 19.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019196
PNG
(CHEMBL73510 | N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-dih...)
Show SMILES Cc1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:12|
Show InChI InChI=1S/C23H18FN3O2/c1-14-10-12-15(13-11-14)22(28)27-21-23(29)25-19-9-5-3-7-17(19)20(26-21)16-6-2-4-8-18(16)24/h2-13,21H,1H3,(H,25,29)(H,27,28)
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n/an/a 20.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50407254
PNG
(CHEMBL333459)
Show SMILES CC1C(=Cc2ccccc12)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |c:2,t:16|
Show InChI InChI=1S/C26H20FN3O2/c1-15-17-9-3-2-8-16(17)14-20(15)25(31)30-24-26(32)28-22-13-7-5-11-19(22)23(29-24)18-10-4-6-12-21(18)27/h2-15,24H,1H3,(H,28,32)(H,30,31)
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n/an/a 21.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019257
PNG
(3,4-Dichloro-N-(2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES Clc1ccc(cc1Cl)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:13|
Show InChI InChI=1S/C22H15Cl2N3O2/c23-16-11-10-14(12-17(16)24)21(28)27-20-22(29)25-18-9-5-4-8-15(18)19(26-20)13-6-2-1-3-7-13/h1-12,20H,(H,25,29)(H,27,28)
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n/an/a 28.8n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019230
PNG
(4-Chloro-N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES Clc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:12|
Show InChI InChI=1S/C22H16ClN3O2/c23-16-12-10-15(11-13-16)21(27)26-20-22(28)24-18-9-5-4-8-17(18)19(25-20)14-6-2-1-3-7-14/h1-13,20H,(H,24,28)(H,26,27)
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n/an/a 40.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019200
PNG
((S)-4-Cyano-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C#N)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C24H17FN4O2/c1-29-20-9-5-3-7-18(20)21(17-6-2-4-8-19(17)25)27-22(24(29)31)28-23(30)16-12-10-15(14-26)11-13-16/h2-13,22H,1H3,(H,28,30)
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n/an/a 42.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019241
PNG
(5-Hydroxy-1H-indole-2-carboxylic acid [5-(2-fluoro...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16|
Show InChI InChI=1S/C24H17FN4O3/c25-17-7-3-1-5-15(17)21-16-6-2-4-8-19(16)27-24(32)22(28-21)29-23(31)20-12-13-11-14(30)9-10-18(13)26-20/h1-12,22,26,30H,(H,27,32)(H,29,31)
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n/an/a 70.8n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019225
PNG
(3-Chloro-N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES Clc1cccc(c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:12|
Show InChI InChI=1S/C22H16ClN3O2/c23-16-10-6-9-15(13-16)21(27)26-20-22(28)24-18-12-5-4-11-17(18)19(25-20)14-7-2-1-3-8-14/h1-13,20H,(H,24,28)(H,26,27)
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n/an/a 81.3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50407252
PNG
(CHEMBL420722)
Show SMILES Fc1ccccc1C1=NC(NC(=O)CNc2ccccc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C23H19FN4O2/c24-18-12-6-4-10-16(18)21-17-11-5-7-13-19(17)26-23(30)22(28-21)27-20(29)14-25-15-8-2-1-3-9-15/h1-13,22,25H,14H2,(H,26,30)(H,27,29)
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n/an/a 89.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019276
PNG
(CHEMBL72599 | N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-dih...)
Show SMILES COc1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:13|
Show InChI InChI=1S/C23H18FN3O3/c1-30-15-12-10-14(11-13-15)22(28)27-21-23(29)25-19-9-5-3-7-17(19)20(26-21)16-6-2-4-8-18(16)24/h2-13,21H,1H3,(H,25,29)(H,27,28)
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n/an/a 95.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019228
PNG
(5-Chloro-1H-indole-2-carboxylic acid [5-(2-fluoro-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H16ClFN4O2/c25-14-9-10-18-13(11-14)12-20(27-18)23(31)30-22-24(32)28-19-8-4-2-6-16(19)21(29-22)15-5-1-3-7-17(15)26/h1-12,22,27H,(H,28,32)(H,30,31)
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n/an/a 100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019180
PNG
((S)-4-tert-Butyl-N-[5-(2-fluoro-phenyl)-1-methyl-2...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C27H26FN3O2/c1-27(2,3)18-15-13-17(14-16-18)25(32)30-24-26(33)31(4)22-12-8-6-10-20(22)23(29-24)19-9-5-7-11-21(19)28/h5-16,24H,1-4H3,(H,30,32)
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n/an/a 100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019254
PNG
(CHEMBL303724 | N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-di...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:14|
Show InChI InChI=1S/C22H15FN4O4/c23-17-7-3-1-5-15(17)19-16-6-2-4-8-18(16)24-22(29)20(25-19)26-21(28)13-9-11-14(12-10-13)27(30)31/h1-12,20H,(H,24,29)(H,26,28)
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n/an/a 110n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019245
PNG
(1H-Pyrrole-2-carboxylic acid [5-(2-fluoro-phenyl)-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccc[nH]2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C20H15FN4O2/c21-14-8-3-1-6-12(14)17-13-7-2-4-9-15(13)23-20(27)18(24-17)25-19(26)16-10-5-11-22-16/h1-11,18,22H,(H,23,27)(H,25,26)
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n/an/a 110n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019184
PNG
(5-Bromo-1H-indole-2-carboxylic acid [5-(2-fluoro-p...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3cc(Br)ccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H16BrFN4O2/c25-14-9-10-18-13(11-14)12-20(27-18)23(31)30-22-24(32)28-19-8-4-2-6-16(19)21(29-22)15-5-1-3-7-17(15)26/h1-12,22,27H,(H,28,32)(H,30,31)
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n/an/a 120n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019215
PNG
(CHEMBL307659 | N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-di...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccccc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C22H16FN3O2/c23-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)24-22(28)20(25-19)26-21(27)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H,26,27)
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n/an/a 151n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019233
PNG
(5-Methoxy-1H-indole-2-carboxylic acid [5-(2-fluoro...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:17|
Show InChI InChI=1S/C25H19FN4O3/c1-33-15-10-11-19-14(12-15)13-21(27-19)24(31)30-23-25(32)28-20-9-5-3-7-17(20)22(29-23)16-6-2-4-8-18(16)26/h2-13,23,27H,1H3,(H,28,32)(H,30,31)
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n/an/a 200n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019270
PNG
(4-Methylsulfanyl-N-(2-oxo-5-phenyl-2,3-dihydro-1H-...)
Show SMILES CSc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:13|
Show InChI InChI=1S/C23H19N3O2S/c1-29-17-13-11-16(12-14-17)22(27)26-21-23(28)24-19-10-6-5-9-18(19)20(25-21)15-7-3-2-4-8-15/h2-14,21H,1H3,(H,24,28)(H,26,27)
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n/an/a 219n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019211
PNG
(CHEMBL302359 | N-(2-Oxo-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:15|
Show InChI InChI=1S/C23H16F3N3O2/c24-23(25,26)16-12-10-15(11-13-16)21(30)29-20-22(31)27-18-9-5-4-8-17(18)19(28-20)14-6-2-1-3-7-14/h1-13,20H,(H,27,31)(H,29,30)
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n/an/a 240n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019253
PNG
(4-Dimethylamino-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-d...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:14|
Show InChI InChI=1S/C24H21FN4O2/c1-29(2)16-13-11-15(12-14-16)23(30)28-22-24(31)26-20-10-6-4-8-18(20)21(27-22)17-7-3-5-9-19(17)25/h3-14,22H,1-2H3,(H,26,31)(H,28,30)
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n/an/a 269n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019193
PNG
(CHEMBL70896 | Quinazoline-2-carboxylic acid [5-(2-...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ncc3ccccc3n2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H16FN5O2/c25-17-10-4-2-8-15(17)20-16-9-3-6-12-19(16)28-24(32)22(29-20)30-23(31)21-26-13-14-7-1-5-11-18(14)27-21/h1-13,22H,(H,28,32)(H,30,31)
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n/an/a 302n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019199
PNG
(4-Fluoro-N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES Fc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:12|
Show InChI InChI=1S/C22H16FN3O2/c23-16-12-10-15(11-13-16)21(27)26-20-22(28)24-18-9-5-4-8-17(18)19(25-20)14-6-2-1-3-7-14/h1-13,20H,(H,24,28)(H,26,27)
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n/an/a 479n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
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