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Articleid 50029691

Compile data set for download or QSAR
Found 25 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)
BDBM50286892
PNG
(1-[(R)-1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pheny...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C30H30N4O3/c1-20-10-9-15-23(18-20)31-30(37)33-28-29(36)34(19-26(35)21-11-5-6-12-21)25-17-8-7-16-24(25)27(32-28)22-13-3-2-4-14-22/h2-4,7-10,13-18,21,28H,5-6,11-12,19H2,1H3,(H2,31,33,37)/t28-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286884
PNG
(1-{1-[2-(1-Methyl-cyclopentyl)-2-oxo-ethyl]-2-oxo-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCC3)C2=O)c1
Show InChI InChI=1S/C31H32N4O3/c1-21-11-10-14-23(19-21)32-30(38)34-28-29(37)35(20-26(36)31(2)17-8-9-18-31)25-16-7-6-15-24(25)27(33-28)22-12-4-3-5-13-22/h3-7,10-16,19,28H,8-9,17-18,20H2,1-2H3,(H2,32,34,38)
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056101
PNG
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286882
PNG
(1-[(S)-1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pheny...)
Show SMILES Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C30H30N4O3/c1-20-10-9-15-23(18-20)31-30(37)33-28-29(36)34(19-26(35)21-11-5-6-12-21)25-17-8-7-16-24(25)27(32-28)22-13-3-2-4-14-22/h2-4,7-10,13-18,21,28H,5-6,11-12,19H2,1H3,(H2,31,33,37)/t28-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286886
PNG
(1-[1-(3-Cyclohexyl-2-oxo-propyl)-2-oxo-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)CC3CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-11-10-16-25(19-22)33-32(39)35-30-31(38)36(21-26(37)20-23-12-4-2-5-13-23)28-18-9-8-17-27(28)29(34-30)24-14-6-3-7-15-24/h3,6-11,14-19,23,30H,2,4-5,12-13,20-21H2,1H3,(H2,33,35,39)
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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286888
PNG
(1-{1-[2-(1-Methyl-cyclohexyl)-2-oxo-ethyl]-2-oxo-5...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-12-11-15-24(20-22)33-31(39)35-29-30(38)36(21-27(37)32(2)18-9-4-10-19-32)26-17-8-7-16-25(26)28(34-29)23-13-5-3-6-14-23/h3,5-8,11-17,20,29H,4,9-10,18-19,21H2,1-2H3,(H2,33,35,39)
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n/an/a 0.380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286891
PNG
(1-[1-(2-Cyclohexyl-2-oxo-ethyl)-2-oxo-5-phenyl-2,3...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C31H32N4O3/c1-21-11-10-16-24(19-21)32-31(38)34-29-30(37)35(20-27(36)22-12-4-2-5-13-22)26-18-9-8-17-25(26)28(33-29)23-14-6-3-7-15-23/h3,6-11,14-19,22,29H,2,4-5,12-13,20H2,1H3,(H2,32,34,38)
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286885
PNG
(1-{1-[2-(1-Methyl-cyclopropyl)-2-oxo-ethyl]-2-oxo-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CC3)C2=O)c1
Show InChI InChI=1S/C29H28N4O3/c1-19-9-8-12-21(17-19)30-28(36)32-26-27(35)33(18-24(34)29(2)15-16-29)23-14-7-6-13-22(23)25(31-26)20-10-4-3-5-11-20/h3-14,17,26H,15-16,18H2,1-2H3,(H2,30,32,36)
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n/an/a 0.410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056097
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H30N4O3/c1-19-11-10-14-21(17-19)30-28(36)32-26-27(35)33(18-24(34)29(2,3)4)23-16-9-8-15-22(23)25(31-26)20-12-6-5-7-13-20/h5-17,26H,18H2,1-4H3,(H2,30,32,36)/t26-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286883
PNG
(1-[1-(3,3-Dimethyl-2-oxo-pentyl)-2-oxo-5-phenyl-2,...)
Show SMILES CCC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-5-30(3,4)25(35)19-34-24-17-10-9-16-23(24)26(21-13-7-6-8-14-21)32-27(28(34)36)33-29(37)31-22-15-11-12-20(2)18-22/h6-18,27H,5,19H2,1-4H3,(H2,31,33,37)
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n/an/a 0.570n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286889
PNG
(1-[1-(3-Cyclohexyl-3-methyl-2-oxo-butyl)-2-oxo-5-p...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C34H38N4O3/c1-23-13-12-18-26(21-23)35-33(41)37-31-32(40)38(22-29(39)34(2,3)25-16-8-5-9-17-25)28-20-11-10-19-27(28)30(36-31)24-14-6-4-7-15-24/h4,6-7,10-15,18-21,25,31H,5,8-9,16-17,22H2,1-3H3,(H2,35,37,41)
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n/an/a 0.860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286887
PNG
(1-[1-(3-Ethyl-2-oxo-pentyl)-2-oxo-5-phenyl-2,3-dih...)
Show SMILES CCC(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-4-21(5-2)26(35)19-34-25-17-10-9-16-24(25)27(22-13-7-6-8-14-22)32-28(29(34)36)33-30(37)31-23-15-11-12-20(3)18-23/h6-18,21,28H,4-5,19H2,1-3H3,(H2,31,33,37)
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286890
PNG
(1-[1-(2-Cycloheptyl-2-oxo-ethyl)-2-oxo-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-12-11-17-25(20-22)33-32(39)35-30-31(38)36(21-28(37)23-13-5-2-3-6-14-23)27-19-10-9-18-26(27)29(34-30)24-15-7-4-8-16-24/h4,7-12,15-20,23,30H,2-3,5-6,13-14,21H2,1H3,(H2,33,35,39)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286881
PNG
(1-[1-(3-Methyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3-dih...)
Show SMILES CC(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-18(2)24(33)17-32-23-15-8-7-14-22(23)25(20-11-5-4-6-12-20)30-26(27(32)34)31-28(35)29-21-13-9-10-19(3)16-21/h4-16,18,26H,17H2,1-3H3,(H2,29,31,35)
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286893
PNG
(1-[1-(2-Cyclobutyl-2-oxo-ethyl)-2-oxo-5-phenyl-2,3...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCC3)C2=O)c1
Show InChI InChI=1S/C29H28N4O3/c1-19-9-7-14-22(17-19)30-29(36)32-27-28(35)33(18-25(34)20-12-8-13-20)24-16-6-5-15-23(24)26(31-27)21-10-3-2-4-11-21/h2-7,9-11,14-17,20,27H,8,12-13,18H2,1H3,(H2,30,32,36)
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286882
PNG
(1-[(S)-1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pheny...)
Show SMILES Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C30H30N4O3/c1-20-10-9-15-23(18-20)31-30(37)33-28-29(36)34(19-26(35)21-11-5-6-12-21)25-17-8-7-16-24(25)27(32-28)22-13-3-2-4-14-22/h2-4,7-10,13-18,21,28H,5-6,11-12,19H2,1H3,(H2,31,33,37)/t28-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50056097
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H30N4O3/c1-19-11-10-14-21(17-19)30-28(36)32-26-27(35)33(18-24(34)29(2,3)4)23-16-9-8-15-22(23)25(31-26)20-12-6-5-7-13-20/h5-17,26H,18H2,1-4H3,(H2,30,32,36)/t26-/m0/s1
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n/an/a 111n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecystokinin type A receptor from rat pancreas at dose of 0.03 umol/kg


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056101
PNG
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
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n/an/a 146n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286884
PNG
(1-{1-[2-(1-Methyl-cyclopentyl)-2-oxo-ethyl]-2-oxo-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCC3)C2=O)c1
Show InChI InChI=1S/C31H32N4O3/c1-21-11-10-14-23(19-21)32-30(38)34-28-29(37)35(20-26(36)31(2)17-8-9-18-31)25-16-7-6-15-24(25)27(33-28)22-12-4-3-5-13-22/h3-7,10-16,19,28H,8-9,17-18,20H2,1-2H3,(H2,32,34,38)
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Article
n/an/a 293n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286892
PNG
(1-[(R)-1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pheny...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C30H30N4O3/c1-20-10-9-15-23(18-20)31-30(37)33-28-29(36)34(19-26(35)21-11-5-6-12-21)25-17-8-7-16-24(25)27(32-28)22-13-3-2-4-14-22/h2-4,7-10,13-18,21,28H,5-6,11-12,19H2,1H3,(H2,31,33,37)/t28-/m0/s1
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Article
n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286886
PNG
(1-[1-(3-Cyclohexyl-2-oxo-propyl)-2-oxo-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)CC3CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-11-10-16-25(19-22)33-32(39)35-30-31(38)36(21-26(37)20-23-12-4-2-5-13-23)28-18-9-8-17-27(28)29(34-30)24-14-6-3-7-15-24/h3,6-11,14-19,23,30H,2,4-5,12-13,20-21H2,1H3,(H2,33,35,39)
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286883
PNG
(1-[1-(3,3-Dimethyl-2-oxo-pentyl)-2-oxo-5-phenyl-2,...)
Show SMILES CCC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-5-30(3,4)25(35)19-34-24-17-10-9-16-23(24)26(21-13-7-6-8-14-21)32-27(28(34)36)33-29(37)31-22-15-11-12-20(2)18-22/h6-18,27H,5,19H2,1-4H3,(H2,31,33,37)
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n/an/a 720n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286881
PNG
(1-[1-(3-Methyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3-dih...)
Show SMILES CC(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-18(2)24(33)17-32-23-15-8-7-14-22(23)25(20-11-5-4-6-12-20)30-26(27(32)34)31-28(35)29-21-13-9-10-19(3)16-21/h4-16,18,26H,17H2,1-3H3,(H2,29,31,35)
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Article
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286882
PNG
(1-[(S)-1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pheny...)
Show SMILES Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C30H30N4O3/c1-20-10-9-15-23(18-20)31-30(37)33-28-29(36)34(19-26(35)21-11-5-6-12-21)25-17-8-7-16-24(25)27(32-28)22-13-3-2-4-14-22/h2-4,7-10,13-18,21,28H,5-6,11-12,19H2,1H3,(H2,31,33,37)/t28-/m1/s1
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Article
n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286888
PNG
(1-{1-[2-(1-Methyl-cyclohexyl)-2-oxo-ethyl]-2-oxo-5...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-12-11-15-24(20-22)33-31(39)35-29-30(38)36(21-27(37)32(2)18-9-4-10-19-32)26-17-8-7-16-25(26)28(34-29)23-13-5-3-6-14-23/h3,5-8,11-17,20,29H,4,9-10,18-19,21H2,1-2H3,(H2,33,35,39)
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Article
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%