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PubMed code 1552499

Compile data set for download or QSAR
Found 23 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
Cholecystokinin receptor


(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
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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0.700n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005459
PNG
(4-(3,4-Dichloro-benzoylamino)-4-dipentylcarbamoyl-...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)/t19-/m1/s1
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49n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005456
PNG
(1-(4-Chloro-phenyl)-3-(3,3-diphenyl-allyl)-urea | ...)
Show SMILES Clc1ccc(NC(=O)NCC=C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19ClN2O/c23-19-11-13-20(14-12-19)25-22(26)24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,16H2,(H2,24,25,26)
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90n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005471
PNG
(1H-Indole-2-carboxylic acid (3-phenyl-allyl)-amide...)
Show SMILES O=C(NC\C=C\c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-11,13,20H,12H2,(H,19,21)/b9-6+
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180n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005453
PNG
(1H-Indole-2-carboxylic acid [3,3-bis-(4-chloro-phe...)
Show SMILES Clc1ccc(cc1)C(=CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2O/c25-19-9-5-16(6-10-19)21(17-7-11-20(26)12-8-17)13-14-27-24(29)23-15-18-3-1-2-4-22(18)28-23/h1-13,15,28H,14H2,(H,27,29)
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200n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005450
PNG
(1-(4-Chloro-phenyl)-3-(3-pentyl-oct-2-enyl)-urea |...)
Show SMILES CCCCCC(CCCCC)=CCNC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H31ClN2O/c1-3-5-7-9-17(10-8-6-4-2)15-16-22-20(24)23-19-13-11-18(21)12-14-19/h11-15H,3-10,16H2,1-2H3,(H2,22,23,24)
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200n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005455
PNG
(1H-Indole-2-carboxylic acid (3,3-diphenyl-propyl)-...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H22N2O/c27-24(23-17-20-13-7-8-14-22(20)26-23)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,21,26H,15-16H2,(H,25,27)
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290n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005466
PNG
(1H-Indole-2-carboxylic acid (3,3-diphenyl-allyl)-a...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H20N2O/c27-24(23-17-20-13-7-8-14-22(20)26-23)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,17,26H,16H2,(H,25,27)
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340n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005457
PNG
(1-(4-Chloro-phenyl)-3-(4,4-diphenyl-but-3-enyl)-ur...)
Show SMILES Clc1ccc(NC(=O)NCCC=C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H21ClN2O/c24-20-13-15-21(16-14-20)26-23(27)25-17-7-12-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-16H,7,17H2,(H2,25,26,27)
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400n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005468
PNG
(3,4-Dichloro-N-(3,3-diphenyl-allyl)-benzamide | CH...)
Show SMILES Clc1ccc(cc1Cl)C(=O)NCC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17Cl2NO/c23-20-12-11-18(15-21(20)24)22(26)25-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,25,26)
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400n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005470
PNG
(CHEMBL8949 | Naphthalene-2-carboxylic acid (3,3-di...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H21NO/c28-26(24-16-15-20-9-7-8-14-23(20)19-24)27-18-17-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-17,19H,18H2,(H,27,28)
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450n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005461
PNG
(CHEMBL9510 | Quinoline-2-carboxylic acid (3,3-diph...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H20N2O/c28-25(24-16-15-21-13-7-8-14-23(21)27-24)26-18-17-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17H,18H2,(H,26,28)
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470n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005469
PNG
(1-(3,3-Diphenyl-allyl)-3-m-tolyl-urea | CHEMBL9312)
Show SMILES Cc1cccc(NC(=O)NCC=C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C23H22N2O/c1-18-9-8-14-21(17-18)25-23(26)24-16-15-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,17H,16H2,1H3,(H2,24,25,26)
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800n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005462
PNG
(CHEMBL9379 | Naphthalene-1-carboxylic acid (3,3-di...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C26H21NO/c28-26(25-17-9-15-22-14-7-8-16-24(22)25)27-19-18-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-18H,19H2,(H,27,28)
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1.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005467
PNG
(1-(4-Chloro-phenyl)-3-(2-diphenylamino-ethyl)-urea...)
Show SMILES Clc1ccc(NC(=O)NCCN(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C21H20ClN3O/c22-17-11-13-18(14-12-17)24-21(26)23-15-16-25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-16H2,(H2,23,24,26)
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1.40E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005454
PNG
(CHEMBL9181 | Quinoline-4-carboxylic acid (3,3-diph...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccnc2ccccc12
Show InChI InChI=1S/C25H20N2O/c28-25(23-16-17-26-24-14-8-7-13-22(23)24)27-18-15-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17H,18H2,(H,27,28)
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>2.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005449
PNG
(CHEMBL9174 | Quinoline-3-carboxylic acid (3,3-diph...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1cnc2ccccc2c1
Show InChI InChI=1S/C25H20N2O/c28-25(22-17-21-13-7-8-14-24(21)27-18-22)26-16-15-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-15,17-18H,16H2,(H,26,28)
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>2.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005460
PNG
(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carbox...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1cc2cccc3CCCn1c23
Show InChI InChI=1S/C27H24N2O/c30-27(25-19-23-14-7-13-22-15-8-18-29(25)26(22)23)28-17-16-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-14,16,19H,8,15,17-18H2,(H,28,30)
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>2.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005452
PNG
(1H-Indole-2-carboxylic acid (4,4-diphenyl-but-3-en...)
Show SMILES O=C(NCCC=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H22N2O/c28-25(24-18-21-14-7-8-16-23(21)27-24)26-17-9-15-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-16,18,27H,9,17H2,(H,26,28)
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>2.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit [3H]-L-364,718 binding Cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005465
PNG
(4-Chloro-N-(3,3-diphenyl-allyl)-benzamide | CHEMBL...)
Show SMILES Clc1ccc(cc1)C(=O)NCC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18ClNO/c23-20-13-11-19(12-14-20)22(25)24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,16H2,(H,24,25)
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>2.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005451
PNG
(1H-Indole-2-carboxylic acid [3,3-bis-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)C(=CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(OC)cc1
Show InChI InChI=1S/C26H24N2O3/c1-30-21-11-7-18(8-12-21)23(19-9-13-22(31-2)14-10-19)15-16-27-26(29)25-17-20-5-3-4-6-24(20)28-25/h3-15,17,28H,16H2,1-2H3,(H,27,29)
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>4.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


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


(RAT)
BDBM50005464
PNG
(1-(4-Chloro-phenyl)-3-[2-(10,11-dihydro-dibenzo[a,...)
Show SMILES Clc1ccc(NC(=O)NCC=C2c3ccccc3CCc3ccccc23)cc1
Show InChI InChI=1S/C24H21ClN2O/c25-19-11-13-20(14-12-19)27-24(28)26-16-15-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-8,11-15H,9-10,16H2,(H2,26,27,28)
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>4.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


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


(RAT)
BDBM50005458
PNG
(1-(4-Chloro-phenyl)-3-(3-phenyl-allyl)-urea | CHEM...)
Show SMILES Clc1ccc(NC(=O)NC\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C16H15ClN2O/c17-14-8-10-15(11-9-14)19-16(20)18-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2,(H2,18,19,20)/b7-4+
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>4.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%