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Compile Data Set for Download or QSAR

Found 226 hits with Last Name = 'hageman' and Initial = 'dl'   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037869
PNG
(CHEMBL334100 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
Show InChI InChI=1S/C30H39ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037849
PNG
(CHEMBL291458 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037849
PNG
(CHEMBL291458 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037866
PNG
(CHEMBL125253 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C29H37ClN4O3/c1-29(2,3)33-26(35)18-34-25-15-8-7-14-22(25)23(19-10-5-4-6-11-19)17-24(27(34)36)32-28(37)31-21-13-9-12-20(30)16-21/h7-9,12-16,19,23-24H,4-6,10-11,17-18H2,1-3H3,(H,33,35)(H2,31,32,37)/t23-,24-/m1/s1
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n/an/a 1.07n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037871
PNG
(2-{(3R,5S)-5-Benzyl-3-[3-(3-chloro-phenyl)-ureido]...)
Show SMILES Cc1ccc2[C@@H](Cc3ccccc3)C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1
Show InChI InChI=1S/C31H35ClN4O3/c1-20-13-14-25-22(16-21-9-6-5-7-10-21)17-26(34-30(39)33-24-12-8-11-23(32)18-24)29(38)36(27(25)15-20)19-28(37)35-31(2,3)4/h5-15,18,22,26H,16-17,19H2,1-4H3,(H,35,37)(H2,33,34,39)/t22-,26+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037867
PNG
(CHEMBL126865 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES CN(C(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C30H33ClN4O3/c1-30(2,3)34(4)27(36)19-35-26-16-9-8-15-23(26)24(20-11-6-5-7-12-20)18-25(28(35)37)33-29(38)32-22-14-10-13-21(31)17-22/h5-17,24-25H,18-19H2,1-4H3,(H2,32,33,38)/t24-,25-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037847
PNG
(CHEMBL124004 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES CCc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C31H35ClN4O3/c1-5-20-14-15-24-25(21-10-7-6-8-11-21)18-26(34-30(39)33-23-13-9-12-22(32)17-23)29(38)36(27(24)16-20)19-28(37)35-31(2,3)4/h6-17,25-26H,5,18-19H2,1-4H3,(H,35,37)(H2,33,34,39)/t25-,26-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50118009
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-2-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3nccs3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-11-16-17(12-19(18)27-4-2)23-13-24-20(16)25-15-7-5-6-14(10-15)21-22-8-9-28-21/h5-13H,3-4H2,1-2H3,(H,23,24,25)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase

J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037864
PNG
(CHEMBL124340 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1cccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c12)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-10-8-15-23-24(20-11-6-5-7-12-20)17-25(33-29(38)32-22-14-9-13-21(31)16-22)28(37)35(27(19)23)18-26(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037853
PNG
(CHEMBL334305 | {(3R,5R)-3-[3-(3-Chloro-phenyl)-ure...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)OC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C30H32ClN3O4/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(37)32-22-12-8-11-21(31)16-22)28(36)34(26(23)15-19)18-27(35)38-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H2,32,33,37)/t24-,25-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037870
PNG
(CHEMBL333718 | [(3R,5R)-2-Oxo-5-phenyl-3-(3-m-toly...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H33N3O4/c1-20-11-10-14-22(17-20)31-29(36)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)33(28(25)35)19-27(34)37-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H2,31,32,36)/t24-,25-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50117952
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-furan-2-yl-pheny...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3ccco3)c2cc1OCC
Show InChI InChI=1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-19/h5-14H,3-4H2,1-2H3,(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase

J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037856
PNG
(CHEMBL339547 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES CC(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12
Show InChI InChI=1S/C27H35ClN4O3/c1-16(2)21-14-22(30-26(35)29-19-9-7-8-18(28)13-19)25(34)32(15-24(33)31-27(4,5)6)23-12-17(3)10-11-20(21)23/h7-13,16,21-22H,14-15H2,1-6H3,(H,31,33)(H2,29,30,35)/t21-,22-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037863
PNG
(2-{(3R,5R)-3-[3-(3-Chloro-phenyl)-ureido]-2-oxo-5-...)
Show SMILES CC1(CCCCC1)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C32H35ClN4O3/c1-32(17-8-3-9-18-32)36-29(38)21-37-28-16-7-6-15-25(28)26(22-11-4-2-5-12-22)20-27(30(37)39)35-31(40)34-24-14-10-13-23(33)19-24/h2,4-7,10-16,19,26-27H,3,8-9,17-18,20-21H2,1H3,(H,36,38)(H2,34,35,40)/t26-,27-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037854
PNG
(CHEMBL333541 | N-tert-Butyl-2-{(3R,5R)-5-(3-chloro...)
Show SMILES CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-13-5-4-12-22(25)23(18-8-6-9-19(30)14-18)16-24(27(35)37)33-28(38)32-21-11-7-10-20(31)15-21/h4-15,23-24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)/t23-,24-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50095256
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-4-fluor...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H14FN3O2/c1-4-11-7-12(5-6-14(11)19)22-18-13-8-16(23-2)17(24-3)9-15(13)20-10-21-18/h1,5-10H,2-3H3,(H,20,21,22)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase

J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50037867
PNG
(CHEMBL126865 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES CN(C(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C30H33ClN4O3/c1-30(2,3)34(4)27(36)19-35-26-16-9-8-15-23(26)24(20-11-6-5-7-12-20)18-25(28(35)37)33-29(38)32-22-14-10-13-21(31)17-22/h5-17,24-25H,18-19H2,1-4H3,(H2,32,33,38)/t24-,25-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037860
PNG
(CHEMBL331315 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H31ClN4O3/c1-29(2,3)33-26(35)18-34-25-15-8-7-14-22(25)23(19-10-5-4-6-11-19)17-24(27(34)36)32-28(37)31-21-13-9-12-20(30)16-21/h4-16,23-24H,17-18H2,1-3H3,(H,33,35)(H2,31,32,37)/t23-,24-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037859
PNG
(CHEMBL333671 | N-tert-Butyl-2-{(3R,5R)-8-chloro-3-...)
Show SMILES CC(C)(C)NC(=O)CN1c2cc(Cl)ccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-15-20(31)12-13-22(25)23(18-8-5-4-6-9-18)16-24(27(35)37)33-28(38)32-21-11-7-10-19(30)14-21/h4-15,23-24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)/t23-,24-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037865
PNG
(2-{(3R,5R)-3-[3-(3-Chloro-phenyl)-ureido]-2-oxo-5-...)
Show SMILES CCC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-4-30(2,3)34-27(36)19-35-26-16-9-8-15-23(26)24(20-11-6-5-7-12-20)18-25(28(35)37)33-29(38)32-22-14-10-13-21(31)17-22/h5-17,24-25H,4,18-19H2,1-3H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037850
PNG
(CHEMBL339678 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12
Show InChI InChI=1S/C31H35ClN4O3/c1-19-9-12-21(13-10-19)25-17-26(34-30(39)33-23-8-6-7-22(32)16-23)29(38)36(18-28(37)35-31(3,4)5)27-15-20(2)11-14-24(25)27/h6-16,25-26H,17-18H2,1-5H3,(H,35,37)(H2,33,34,39)/t25-,26-/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037868
PNG
(CHEMBL127397 | N-tert-Butyl-2-[(3R,5R)-2-oxo-5-phe...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c1-20-11-10-14-22(17-20)31-29(37)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t24-,25-/m1/s1
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n/an/a 10.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037857
PNG
(2-{(3R,5R)-3-[3-(3-Chloro-phenyl)-ureido]-2-oxo-5-...)
Show SMILES CC(C)(NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H33ClN4O3/c1-34(2,24-14-7-4-8-15-24)38-31(40)22-39-30-19-10-9-18-27(30)28(23-12-5-3-6-13-23)21-29(32(39)41)37-33(42)36-26-17-11-16-25(35)20-26/h3-20,28-29H,21-22H2,1-2H3,(H,38,40)(H2,36,37,42)/t28-,29-/m1/s1
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n/an/a 10.6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50117983
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-5-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cncs3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-9-16-17(10-19(18)27-4-2)23-12-24-21(16)25-15-7-5-6-14(8-15)20-11-22-13-28-20/h5-13H,3-4H2,1-2H3,(H,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase

J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50117986
PNG
((6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-pyrazol-3-yl...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cc[nH]n3)c2cc1OCC
Show InChI InChI=1S/C21H21N5O2/c1-3-27-19-11-16-18(12-20(19)28-4-2)22-13-23-21(16)25-15-7-5-6-14(10-15)17-8-9-24-26-17/h5-13H,3-4H2,1-2H3,(H,24,26)(H,22,23,25)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase

J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158278
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[(1,1-dioxo-...)
Show SMILES OCCN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C18H22ClN3O5S/c19-13-1-2-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(5-6-23)14-3-7-28(26,27)8-4-14/h1-2,9-10,14,21,23H,3-8,11H2,(H,20,25)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158249
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[cyclopentyl...)
Show SMILES CC(O)CN(C1CCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H24ClN3O3/c1-12(24)11-23(15-4-2-3-5-15)18(25)10-21-19(26)17-9-13-8-14(20)6-7-16(13)22-17/h6-9,12,15,22,24H,2-5,10-11H2,1H3,(H,21,26)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50117970
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-4-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cscn3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-19-9-16-17(10-20(19)27-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase

J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037855
PNG
(CHEMBL339515 | N-tert-Butyl-2-{(3R,5R)-7-chloro-3-...)
Show SMILES CC(C)(C)NC(=O)CN1c2ccc(Cl)cc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-13-12-20(31)15-23(25)22(18-8-5-4-6-9-18)16-24(27(35)37)33-28(38)32-21-11-7-10-19(30)14-21/h4-15,22,24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)/t22-,24-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158254
PNG
(5-Chloro-1H-indole-2-carboxylic acid [(cyanomethyl...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NCC(=O)N(CC#N)C1CCCC1
Show InChI InChI=1S/C18H19ClN4O2/c19-13-5-6-15-12(9-13)10-16(22-15)18(25)21-11-17(24)23(8-7-20)14-3-1-2-4-14/h5-6,9-10,14,22H,1-4,8,11H2,(H,21,25)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158255
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[cycloheptyl...)
Show SMILES OCCN(C1CCCCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H26ClN3O3/c21-15-7-8-17-14(11-15)12-18(23-17)20(27)22-13-19(26)24(9-10-25)16-5-3-1-2-4-6-16/h7-8,11-12,16,23,25H,1-6,9-10,13H2,(H,22,27)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037851
PNG
(CHEMBL125863 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-met...)
Show SMILES COc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H34N4O4/c1-30(2,3)33-27(35)19-34-26-16-9-8-15-23(26)24(20-11-6-5-7-12-20)18-25(28(34)36)32-29(37)31-21-13-10-14-22(17-21)38-4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t24-,25-/m1/s1
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n/an/a 30.4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037846
PNG
(CHEMBL126002 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc2N(CC(=O)NC(C)(C)C)C(=O)[C@@H](C[C@H](c3ccccc3)c2c1)NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-26-24(15-19)23(20-9-6-5-7-10-20)17-25(28(37)35(26)18-27(36)34-30(2,3)4)33-29(38)32-22-12-8-11-21(31)16-22/h5-16,23,25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t23-,25-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158283
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[cyclooctyl-...)
Show SMILES OCCN(C1CCCCCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H28ClN3O3/c22-16-8-9-18-15(12-16)13-19(24-18)21(28)23-14-20(27)25(10-11-26)17-6-4-2-1-3-5-7-17/h8-9,12-13,17,24,26H,1-7,10-11,14H2,(H,23,28)
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n/an/a 32n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50037853
PNG
(CHEMBL334305 | {(3R,5R)-3-[3-(3-Chloro-phenyl)-ure...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)OC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C30H32ClN3O4/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(37)32-22-12-8-11-21(31)16-22)28(36)34(26(23)15-19)18-27(35)38-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H2,32,33,37)/t24-,25-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037852
PNG
(CHEMBL339260 | N-tert-Butyl-2-[(3R,5R)-2-oxo-5-phe...)
Show SMILES Cc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)cc1
Show InChI InChI=1S/C30H34N4O3/c1-20-14-16-22(17-15-20)31-29(37)32-25-18-24(21-10-6-5-7-11-21)23-12-8-9-13-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t24-,25-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037861
PNG
(CHEMBL337937 | N-tert-Butyl-2-{(3S,5S)-3-[3-(3-chl...)
Show SMILES Cc1ccc2[C@@H](C[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m0/s1
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n/an/a 35.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158308
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[cyclopentyl...)
Show SMILES OCCCN(C1CCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H24ClN3O3/c20-14-6-7-16-13(10-14)11-17(22-16)19(26)21-12-18(25)23(8-3-9-24)15-4-1-2-5-15/h6-7,10-11,15,22,24H,1-5,8-9,12H2,(H,21,26)
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n/an/a 42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037858
PNG
(CHEMBL333813 | N-tert-Butyl-2-{(3R,5R)-3-[3-(4-chl...)
Show SMILES CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H31ClN4O3/c1-29(2,3)33-26(35)18-34-25-12-8-7-11-22(25)23(19-9-5-4-6-10-19)17-24(27(34)36)32-28(37)31-21-15-13-20(30)14-16-21/h4-16,23-24H,17-18H2,1-3H3,(H,33,35)(H2,31,32,37)/t23-,24-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158303
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[(2-hydroxy-...)
Show SMILES OCCN(C1CCc2ccccc12)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C22H22ClN3O3/c23-16-6-7-18-15(11-16)12-19(25-18)22(29)24-13-21(28)26(9-10-27)20-8-5-14-3-1-2-4-17(14)20/h1-4,6-7,11-12,20,25,27H,5,8-10,13H2,(H,24,29)
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n/an/a 49n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50037870
PNG
(CHEMBL333718 | [(3R,5R)-2-Oxo-5-phenyl-3-(3-m-toly...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H33N3O4/c1-20-11-10-14-22(17-20)31-29(36)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)33(28(25)35)19-27(34)37-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H2,31,32,36)/t24-,25-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158295
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[cyclopentyl...)
Show SMILES OCC(O)CN(C1CCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H24ClN3O4/c20-13-5-6-16-12(7-13)8-17(22-16)19(27)21-9-18(26)23(10-15(25)11-24)14-3-1-2-4-14/h5-8,14-15,22,24-25H,1-4,9-11H2,(H,21,27)
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n/an/a 54n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50037862
PNG
(CHEMBL127687 | N-tert-Butyl-2-[(3R,5R)-2-oxo-5-phe...)
Show SMILES Cc1ccccc1NC(=O)N[C@@H]1C[C@H](c2ccccc2)c2ccccc2N(CC(=O)NC(C)(C)C)C1=O
Show InChI InChI=1S/C30H34N4O3/c1-20-12-8-10-16-24(20)31-29(37)32-25-18-23(21-13-6-5-7-14-21)22-15-9-11-17-26(22)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,23,25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t23-,25-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158245
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[(2-hydroxy-...)
Show SMILES OCCN(C1CCOC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C17H20ClN3O4/c18-12-1-2-14-11(7-12)8-15(20-14)17(24)19-9-16(23)21(4-5-22)13-3-6-25-10-13/h1-2,7-8,13,20,22H,3-6,9-10H2,(H,19,24)
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50158304
PNG
(5-Chloro-1H-indole-2-carboxylic acid [(cyclopentyl...)
Show SMILES CN(C1CCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C17H20ClN3O2/c1-21(13-4-2-3-5-13)16(22)10-19-17(23)15-9-11-8-12(18)6-7-14(11)20-15/h6-9,13,20H,2-5,10H2,1H3,(H,19,23)
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase

Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50037854
PNG
(CHEMBL333541 | N-tert-Butyl-2-{(3R,5R)-5-(3-chloro...)
Show SMILES CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-13-5-4-12-22(25)23(18-8-6-9-19(30)14-18)16-24(27(35)37)33-28(38)32-21-11-7-10-20(31)15-21/h4-15,23-24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)/t23-,24-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50037847
PNG
(CHEMBL124004 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES CCc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C31H35ClN4O3/c1-5-20-14-15-24-25(21-10-7-6-8-11-21)18-26(34-30(39)33-23-13-9-12-22(32)17-23)29(38)36(27(24)16-20)19-28(37)35-31(2,3)4/h6-17,25-26H,5,18-19H2,1-4H3,(H,35,37)(H2,33,34,39)/t25-,26-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50037856
PNG
(CHEMBL339547 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES CC(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12
Show InChI InChI=1S/C27H35ClN4O3/c1-16(2)21-14-22(30-26(35)29-19-9-7-8-18(28)13-19)25(34)32(15-24(33)31-27(4,5)6)23-12-17(3)10-11-20(21)23/h7-13,16,21-22H,14-15H2,1-6H3,(H,31,33)(H2,29,30,35)/t21-,22-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50037864
PNG
(CHEMBL124340 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1cccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c12)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-10-8-15-23-24(20-11-6-5-7-12-20)17-25(33-29(38)32-22-14-9-13-21(31)16-22)28(37)35(27(19)23)18-26(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand

J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
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