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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'alston' and Initial = 'j'   
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
Histamine H4 receptor


(GUINEA PIG)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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0.140n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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17n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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104n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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232n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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348n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286172
PNG
(CHEMBL320154 | Pyrrolidine-1-carboxylic acid (R)-3...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C28H35N5O5/c1-20-8-7-11-23(18-20)30-27(36)31-24(19-38-28(37)33-14-5-6-15-33)26(35)32-16-12-21(13-17-32)25(34)29-22-9-3-2-4-10-22/h2-4,7-11,18,21,24H,5-6,12-17,19H2,1H3,(H,29,34)(H2,30,31,36)/t24-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286171
PNG
(1-[(R)-1-(4-Benzoyl-piperidine-1-carbonyl)-4-oxo-4...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C29H36N4O4/c1-21-8-7-11-24(20-21)30-29(37)31-25(12-13-26(34)32-16-5-6-17-32)28(36)33-18-14-23(15-19-33)27(35)22-9-3-2-4-10-22/h2-4,7-11,20,23,25H,5-6,12-19H2,1H3,(H2,30,31,37)/t25-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286166
PNG
(CHEMBL418987 | Pyrrolidine-1-carboxylic acid (R)-3...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C28H34N4O5/c1-20-8-7-11-23(18-20)29-27(35)30-24(19-37-28(36)32-14-5-6-15-32)26(34)31-16-12-22(13-17-31)25(33)21-9-3-2-4-10-21/h2-4,7-11,18,22,24H,5-6,12-17,19H2,1H3,(H2,29,30,35)/t24-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286158
PNG
(CHEMBL103312 | Phenyl-carbamic acid (R)-3-(4-benzo...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)Nc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H32N4O5/c1-21-9-8-14-25(19-21)31-29(37)33-26(20-39-30(38)32-24-12-6-3-7-13-24)28(36)34-17-15-23(16-18-34)27(35)22-10-4-2-5-11-22/h2-14,19,23,26H,15-18,20H2,1H3,(H,32,38)(H2,31,33,37)/t26-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286163
PNG
(1-[(R)-3-Benzyloxy-2-(3-m-tolyl-ureido)-propionyl]...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C30H34N4O4/c1-22-9-8-14-26(19-22)32-30(37)33-27(21-38-20-23-10-4-2-5-11-23)29(36)34-17-15-24(16-18-34)28(35)31-25-12-6-3-7-13-25/h2-14,19,24,27H,15-18,20-21H2,1H3,(H,31,35)(H2,32,33,37)/t27-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286148
PNG
(1-[(S)-2-(4-Benzoyl-piperidin-1-yl)-2-oxo-1-phenyl...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CS(=O)Cc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H33N3O4S/c1-22-9-8-14-26(19-22)31-30(36)32-27(21-38(37)20-23-10-4-2-5-11-23)29(35)33-17-15-25(16-18-33)28(34)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,31,32,36)/t27-,38?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286177
PNG
(CHEMBL104958 | Morpholine-4-carboxylic acid (R)-3-...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCOCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C28H34N4O6/c1-20-6-5-9-23(18-20)29-27(35)30-24(19-38-28(36)32-14-16-37-17-15-32)26(34)31-12-10-22(11-13-31)25(33)21-7-3-2-4-8-21/h2-9,18,22,24H,10-17,19H2,1H3,(H2,29,30,35)/t24-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286168
PNG
(CHEMBL321072 | [(S)-1-[(S)-1-(4-Benzyl-piperidine-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C34H46N4O4/c1-23(2)19-30(32(40)38-17-15-25(16-18-38)20-24-11-7-6-8-12-24)36-31(39)29(37-33(41)42-34(3,4)5)21-26-22-35-28-14-10-9-13-27(26)28/h6-14,22-23,25,29-30,35H,15-21H2,1-5H3,(H,36,39)(H,37,41)/t29-,30-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286165
PNG
(1-{1-((R)-Benzyloxymethyl)-2-[4-(4-fluoro-benzoyl)...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C30H32FN3O4/c1-21-6-5-9-26(18-21)32-30(37)33-27(20-38-19-22-7-3-2-4-8-22)29(36)34-16-14-24(15-17-34)28(35)23-10-12-25(31)13-11-23/h2-13,18,24,27H,14-17,19-20H2,1H3,(H2,32,33,37)/t27-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286172
PNG
(CHEMBL320154 | Pyrrolidine-1-carboxylic acid (R)-3...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C28H35N5O5/c1-20-8-7-11-23(18-20)30-27(36)31-24(19-38-28(37)33-14-5-6-15-33)26(35)32-16-12-21(13-17-32)25(34)29-22-9-3-2-4-10-22/h2-4,7-11,18,21,24H,5-6,12-17,19H2,1H3,(H,29,34)(H2,30,31,36)/t24-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286158
PNG
(CHEMBL103312 | Phenyl-carbamic acid (R)-3-(4-benzo...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)Nc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H32N4O5/c1-21-9-8-14-25(19-21)31-29(37)33-26(20-39-30(38)32-24-12-6-3-7-13-24)28(36)34-17-15-23(16-18-34)27(35)22-10-4-2-5-11-22/h2-14,19,23,26H,15-18,20H2,1H3,(H,32,38)(H2,31,33,37)/t26-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286150
PNG
(1-[(R)-2-(4-Benzoyl-piperidin-1-yl)-1-benzyloxymet...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H33N3O4/c1-22-9-8-14-26(19-22)31-30(36)32-27(21-37-20-23-10-4-2-5-11-23)29(35)33-17-15-25(16-18-33)28(34)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,31,32,36)/t27-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286169
PNG
(1-[(S)-2-(4-Benzoyl-piperidin-1-yl)-1-benzylsulfan...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CSCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H33N3O3S/c1-22-9-8-14-26(19-22)31-30(36)32-27(21-37-20-23-10-4-2-5-11-23)29(35)33-17-15-25(16-18-33)28(34)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,31,32,36)/t27-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286156
PNG
(4-(4-Benzoyl-piperidin-1-yl)-4-(R)-oxo-3-(3-m-toly...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H33N3O5/c1-22-9-8-14-26(19-22)32-31(38)33-27(20-28(35)39-21-23-10-4-2-5-11-23)30(37)34-17-15-25(16-18-34)29(36)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,32,33,38)/t27-/m1/s1
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n/an/a 410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286165
PNG
(1-{1-((R)-Benzyloxymethyl)-2-[4-(4-fluoro-benzoyl)...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C30H32FN3O4/c1-21-6-5-9-26(18-21)32-30(37)33-27(20-38-19-22-7-3-2-4-8-22)29(36)34-16-14-24(15-17-34)28(35)23-10-12-25(31)13-11-23/h2-13,18,24,27H,14-17,19-20H2,1H3,(H2,32,33,37)/t27-/m1/s1
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286157
PNG
(1-{(R)-1-[(R)-(4-Benzoyl-piperidin-1-yl)-oxo-methy...)
Show SMILES C[C@@H](OCc1ccccc1)[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35N3O4/c1-22-10-9-15-27(20-22)32-31(37)33-28(23(2)38-21-24-11-5-3-6-12-24)30(36)34-18-16-26(17-19-34)29(35)25-13-7-4-8-14-25/h3-15,20,23,26,28H,16-19,21H2,1-2H3,(H2,32,33,37)/t23-,28-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286163
PNG
(1-[(R)-3-Benzyloxy-2-(3-m-tolyl-ureido)-propionyl]...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C30H34N4O4/c1-22-9-8-14-26(19-22)32-30(37)33-27(21-38-20-23-10-4-2-5-11-23)29(36)34-17-15-24(16-18-34)28(35)31-25-12-6-3-7-13-25/h2-14,19,24,27H,15-18,20-21H2,1H3,(H,31,35)(H2,32,33,37)/t27-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286174
PNG
(CHEMBL320886 | [(S)-1-[(S)-1-(4-Benzoyl-piperidine...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C34H44N4O5/c1-22(2)19-29(32(41)38-17-15-24(16-18-38)30(39)23-11-7-6-8-12-23)36-31(40)28(37-33(42)43-34(3,4)5)20-25-21-35-27-14-10-9-13-26(25)27/h6-14,21-22,24,28-29,35H,15-20H2,1-5H3,(H,36,40)(H,37,42)/t28-,29-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286159
PNG
(5-(R)-Oxo-5-(4-phenylcarbamoyl-piperidin-1-yl)-4-(...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C32H36N4O5/c1-23-9-8-14-27(21-23)34-32(40)35-28(15-16-29(37)41-22-24-10-4-2-5-11-24)31(39)36-19-17-25(18-20-36)30(38)33-26-12-6-3-7-13-26/h2-14,21,25,28H,15-20,22H2,1H3,(H,33,38)(H2,34,35,40)/t28-/m1/s1
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n/an/a 690n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286148
PNG
(1-[(S)-2-(4-Benzoyl-piperidin-1-yl)-2-oxo-1-phenyl...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CS(=O)Cc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H33N3O4S/c1-22-9-8-14-26(19-22)31-30(36)32-27(21-38(37)20-23-10-4-2-5-11-23)29(35)33-17-15-25(16-18-33)28(34)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,31,32,36)/t27-,38?/m1/s1
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286160
PNG
(1-[(S)-2-(4-Benzoyl-piperidin-1-yl)-2-oxo-1-phenyl...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CS(=O)(=O)Cc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H33N3O5S/c1-22-9-8-14-26(19-22)31-30(36)32-27(21-39(37,38)20-23-10-4-2-5-11-23)29(35)33-17-15-25(16-18-33)28(34)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,31,32,36)/t27-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286151
PNG
((R)-5-(4-Benzoyl-piperidin-1-yl)-5-oxo-4-(3-m-toly...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C32H35N3O5/c1-23-9-8-14-27(21-23)33-32(39)34-28(15-16-29(36)40-22-24-10-4-2-5-11-24)31(38)35-19-17-26(18-20-35)30(37)25-12-6-3-7-13-25/h2-14,21,26,28H,15-20,22H2,1H3,(H2,33,34,39)/t28-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286151
PNG
((R)-5-(4-Benzoyl-piperidin-1-yl)-5-oxo-4-(3-m-toly...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C32H35N3O5/c1-23-9-8-14-27(21-23)33-32(39)34-28(15-16-29(36)40-22-24-10-4-2-5-11-24)31(38)35-19-17-26(18-20-35)30(37)25-12-6-3-7-13-25/h2-14,21,26,28H,15-20,22H2,1H3,(H2,33,34,39)/t28-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286174
PNG
(CHEMBL320886 | [(S)-1-[(S)-1-(4-Benzoyl-piperidine...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C34H44N4O5/c1-22(2)19-29(32(41)38-17-15-24(16-18-38)30(39)23-11-7-6-8-12-23)36-31(40)28(37-33(42)43-34(3,4)5)20-25-21-35-27-14-10-9-13-26(25)27/h6-14,21-22,24,28-29,35H,15-20H2,1-5H3,(H,36,40)(H,37,42)/t28-,29-/m0/s1
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n/an/a 912n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286153
PNG
(5-(4-Benzoylamino-piperidin-1-yl)-5-(R)-oxo-4-(3-m...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C32H36N4O5/c1-23-9-8-14-27(21-23)34-32(40)35-28(15-16-29(37)41-22-24-10-4-2-5-11-24)31(39)36-19-17-26(18-20-36)33-30(38)25-12-6-3-7-13-25/h2-14,21,26,28H,15-20,22H2,1H3,(H,33,38)(H2,34,35,40)/t28-/m1/s1
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n/an/a 970n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286160
PNG
(1-[(S)-2-(4-Benzoyl-piperidin-1-yl)-2-oxo-1-phenyl...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CS(=O)(=O)Cc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H33N3O5S/c1-22-9-8-14-26(19-22)31-30(36)32-27(21-39(37,38)20-23-10-4-2-5-11-23)29(35)33-17-15-25(16-18-33)28(34)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,31,32,36)/t27-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286175
PNG
(1-{1-[(R)-(4-Benzoyl-piperidin-1-yl)-oxo-methyl]-4...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H35N3O3/c1-23-10-8-16-27(22-23)32-31(37)33-28(17-9-13-24-11-4-2-5-12-24)30(36)34-20-18-26(19-21-34)29(35)25-14-6-3-7-15-25/h2-8,10-12,14-16,22,26,28H,9,13,17-21H2,1H3,(H2,32,33,37)/t28-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286169
PNG
(1-[(S)-2-(4-Benzoyl-piperidin-1-yl)-1-benzylsulfan...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CSCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H33N3O3S/c1-22-9-8-14-26(19-22)31-30(36)32-27(21-37-20-23-10-4-2-5-11-23)29(35)33-17-15-25(16-18-33)28(34)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,31,32,36)/t27-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286164
PNG
(1-[(R)-2-(4-Acetyl-piperidin-1-yl)-1-benzyloxymeth...)
Show SMILES CC(=O)C1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C25H31N3O4/c1-18-7-6-10-22(15-18)26-25(31)27-23(17-32-16-20-8-4-3-5-9-20)24(30)28-13-11-21(12-14-28)19(2)29/h3-10,15,21,23H,11-14,16-17H2,1-2H3,(H2,26,27,31)/t23-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286162
PNG
(CHEMBL105303 | Dimethyl-carbamic acid (R)-3-(4-ben...)
Show SMILES CN(C)C(=O)OC[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H32N4O5/c1-18-8-7-11-21(16-18)27-25(33)28-22(17-35-26(34)29(2)3)24(32)30-14-12-20(13-15-30)23(31)19-9-5-4-6-10-19/h4-11,16,20,22H,12-15,17H2,1-3H3,(H2,27,28,33)/t22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286157
PNG
(1-{(R)-1-[(R)-(4-Benzoyl-piperidin-1-yl)-oxo-methy...)
Show SMILES C[C@@H](OCc1ccccc1)[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35N3O4/c1-22-10-9-15-27(20-22)32-31(37)33-28(23(2)38-21-24-11-5-3-6-12-24)30(36)34-18-16-26(17-19-34)29(35)25-13-7-4-8-14-25/h3-15,20,23,26,28H,16-19,21H2,1-2H3,(H2,32,33,37)/t23-,28-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286156
PNG
(4-(4-Benzoyl-piperidin-1-yl)-4-(R)-oxo-3-(3-m-toly...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H33N3O5/c1-22-9-8-14-26(19-22)32-31(38)33-27(20-28(35)39-21-23-10-4-2-5-11-23)30(37)34-17-15-25(16-18-34)29(36)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,32,33,38)/t27-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286176
PNG
(1-[2-((R)-4-Benzoyl-piperidin-1-yl)-1-(1H-indol-3-...)
Show SMILES Cc1cccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H32N4O3/c1-21-8-7-11-25(18-21)33-31(38)34-28(19-24-20-32-27-13-6-5-12-26(24)27)30(37)35-16-14-23(15-17-35)29(36)22-9-3-2-4-10-22/h2-13,18,20,23,28,32H,14-17,19H2,1H3,(H2,33,34,38)/t28-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286166
PNG
(CHEMBL418987 | Pyrrolidine-1-carboxylic acid (R)-3...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C28H34N4O5/c1-20-8-7-11-23(18-20)29-27(35)30-24(19-37-28(36)32-14-5-6-15-32)26(34)31-16-12-22(13-17-31)25(33)21-9-3-2-4-10-21/h2-4,7-11,18,22,24H,5-6,12-17,19H2,1H3,(H2,29,30,35)/t24-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50421364
PNG
(CHEMBL2111654)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H34N4O5/c1-23-9-8-14-26(21-23)32-31(39)33-27(15-16-28(36)40-22-24-10-4-2-5-11-24)30(38)35-19-17-34(18-20-35)29(37)25-12-6-3-7-13-25/h2-14,21,27H,15-20,22H2,1H3,(H2,32,33,39)/t27-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286177
PNG
(CHEMBL104958 | Morpholine-4-carboxylic acid (R)-3-...)
Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCOCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C28H34N4O6/c1-20-6-5-9-23(18-20)29-27(35)30-24(19-38-28(36)32-14-16-37-17-15-32)26(34)31-12-10-22(11-13-31)25(33)21-7-3-2-4-8-21/h2-9,18,22,24H,10-17,19H2,1H3,(H2,29,30,35)/t24-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50286162
PNG
(CHEMBL105303 | Dimethyl-carbamic acid (R)-3-(4-ben...)
Show SMILES CN(C)C(=O)OC[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H32N4O5/c1-18-8-7-11-21(16-18)27-25(33)28-22(17-35-26(34)29(2)3)24(32)30-14-12-20(13-15-30)23(31)19-9-5-4-6-10-19/h4-11,16,20,22H,12-15,17H2,1-3H3,(H2,27,28,33)/t22-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286167
PNG
(CHEMBL105618 | [2-(4-Benzoyl-piperidin-1-yl)-1-(1H...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(CC1)C(=O)c1ccccc1 |wU:19.20,23.24,wD:21.28,17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(8.81,-8.94,;9.18,-7.46,;9.26,-5.91,;10.31,-4.78,;11.84,-4.96,;12.48,-3.56,;11.34,-2.53,;11.38,-1,;10.06,-.2,;8.73,-.97,;8.71,-2.49,;10.01,-3.27,;7.8,-8.14,;6.52,-7.3,;6.59,-5.76,;5.2,-8.09,;3.84,-7.35,;3.29,-5.95,;2.01,-5.32,;.94,-6.35,;-.8,-6.39,;.54,-7.16,;1.12,-8.57,;2.75,-8.41,;1.53,-7.64,;1.68,-6.06,;10.47,-8.29,;10.38,-9.83,;11.84,-7.59,;12.89,-6.46,;14.33,-7.44,;15.66,-7.31,;14.61,-8.46,;13.09,-7.46,;16.79,-8.38,;16.42,-9.88,;18.25,-7.94,;18.6,-6.45,;20.08,-6,;21.21,-7.07,;20.85,-8.57,;19.37,-9,)|
Show InChI InChI=1S/C35H41N3O4/c1-35(20-28-21-36-30-10-6-5-9-29(28)30,37-34(41)42-32-26-16-22-15-23(18-26)19-27(32)17-22)33(40)38-13-11-25(12-14-38)31(39)24-7-3-2-4-8-24/h2-10,21-23,25-27,32,36H,11-20H2,1H3,(H,37,41)/t22-,23+,26-,27+,32?,35?
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286152
PNG
((R)-5-(4-Benzoyl-piperidin-1-yl)-5-oxo-4-(3-m-toly...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(O)=O)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H29N3O5/c1-17-6-5-9-20(16-17)26-25(33)27-21(10-11-22(29)30)24(32)28-14-12-19(13-15-28)23(31)18-7-3-2-4-8-18/h2-9,16,19,21H,10-15H2,1H3,(H,29,30)(H2,26,27,33)/t21-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286175
PNG
(1-{1-[(R)-(4-Benzoyl-piperidin-1-yl)-oxo-methyl]-4...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H35N3O3/c1-23-10-8-16-27(22-23)32-31(37)33-28(17-9-13-24-11-4-2-5-12-24)30(36)34-20-18-26(19-21-34)29(35)25-14-6-3-7-15-25/h2-8,10-12,14-16,22,26,28H,9,13,17-21H2,1H3,(H2,32,33,37)/t28-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50286171
PNG
(1-[(R)-1-(4-Benzoyl-piperidine-1-carbonyl)-4-oxo-4...)
Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C29H36N4O4/c1-21-8-7-11-24(20-21)30-29(37)31-25(12-13-26(34)32-16-5-6-17-32)28(36)33-18-14-23(15-19-33)27(35)22-9-3-2-4-10-22/h2-4,7-11,20,23,25H,5-6,12-19H2,1H3,(H2,30,31,37)/t25-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue


Bioorg Med Chem Lett 5: 3057-3062 (1995)


Article DOI: 10.1016/0960-894X(95)00537-3
BindingDB Entry DOI: 10.7270/Q2BZ6604
More data for this
Ligand-Target Pair
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