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Compile Data Set for Download or QSAR

Found 1298 hits with Last Name = 'lin' and Initial = 'ec'   
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))		BDBM50040674
PNG
(1-((S)-1-Isobutyl-2-oxo-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CC(C)CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C27H26N8O2/c1-17(2)16-35-22-11-7-6-10-21(22)23(18-8-4-3-5-9-18)29-25(26(35)36)30-27(37)28-20-14-12-19(13-15-20)24-31-33-34-32-24/h3-15,17,25H,16H2,1-2H3,(H2,28,30,37)(H,31,32,33,34)/t25-/m1/s1
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n/an/a 0.142n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043556
PNG
(CHEMBL137516 | N,N-Diethyl-2-{3-[3-(3-methoxy-phen...)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1 |c:16|
Show InChI InChI=1S/C29H31N5O4/c1-4-33(5-2)25(35)19-34-24-17-10-9-16-23(24)26(20-12-7-6-8-13-20)31-27(28(34)36)32-29(37)30-21-14-11-15-22(18-21)38-3/h6-18,27H,4-5,19H2,1-3H3,(H2,30,32,37)
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n/an/a 0.220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043546
PNG
(1-(3-Methoxy-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidi...)
Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 |t:12|
Show InChI InChI=1S/C29H29N5O4/c1-38-22-13-9-12-21(18-22)30-29(37)32-27-28(36)34(19-25(35)33-16-7-8-17-33)24-15-6-5-14-23(24)26(31-27)20-10-3-2-4-11-20/h2-6,9-15,18,27H,7-8,16-17,19H2,1H3,(H2,30,32,37)
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n/an/a 0.240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50456295
PNG
(CHEMBL2111920)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-14-8-5-11-16(19)20(15-9-3-2-4-10-15)26-21(22(28)29)27-23(30)25-18-13-7-6-12-17(18)24/h2-14,21H,1H3,(H2,25,27,30)/t21-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040678
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H20N6O4/c1-31-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)27-22(23(31)32)28-24(33)26-17-13-11-16(12-14-17)21-29-25(34)35-30-21/h2-14,22H,1H3,(H2,26,28,33)(H,29,30,34)/t22-/m1/s1
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n/an/a 0.266n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043493
PNG
(CHEMBL313813 | N,N-Diethyl-2-[2-oxo-5-pyridin-2-yl...)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1 |c:16|
Show InChI InChI=1S/C28H30N6O3/c1-4-33(5-2)24(35)18-34-23-15-7-6-13-21(23)25(22-14-8-9-16-29-22)31-26(27(34)36)32-28(37)30-20-12-10-11-19(3)17-20/h6-17,26H,4-5,18H2,1-3H3,(H2,30,32,37)
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n/an/a 0.560n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043575
PNG
(2-{3-[3-(4-Chloro-phenyl)-ureido]-2-oxo-5-phenyl-2...)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:16|
Show InChI InChI=1S/C28H28ClN5O3/c1-3-33(4-2)24(35)18-34-23-13-9-8-12-22(23)25(19-10-6-5-7-11-19)31-26(27(34)36)32-28(37)30-21-16-14-20(29)15-17-21/h5-17,26H,3-4,18H2,1-2H3,(H2,30,32,37)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043548
PNG
(1-(4-Chloro-phenyl)-3-{1-[2-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:19|
Show InChI InChI=1S/C29H29ClN6O3/c1-34-15-17-35(18-16-34)25(37)19-36-24-10-6-5-9-23(24)26(20-7-3-2-4-8-20)32-27(28(36)38)33-29(39)31-22-13-11-21(30)12-14-22/h2-14,27H,15-19H2,1H3,(H2,31,33,39)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50020269
PNG
((RS)-{3-[3-(4-Chloro-phenyl)-ureido]-2-oxo-5-pheny...)
Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:14|
Show InChI InChI=1S/C26H23ClN4O4/c1-2-35-22(32)16-31-21-11-7-6-10-20(21)23(17-8-4-3-5-9-17)29-24(25(31)33)30-26(34)28-19-14-12-18(27)13-15-19/h3-15,24H,2,16H2,1H3,(H2,28,30,34)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043541
PNG
(3-{3-[3-(3-Methoxy-phenyl)-ureido]-2-oxo-5-phenyl-...)
Show SMILES CCOC(=O)CCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1 |c:15|
Show InChI InChI=1S/C28H28N4O5/c1-3-37-24(33)16-17-32-23-15-8-7-14-22(23)25(19-10-5-4-6-11-19)30-26(27(32)34)31-28(35)29-20-12-9-13-21(18-20)36-2/h4-15,18,26H,3,16-17H2,1-2H3,(H2,29,31,35)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040679
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H20N8O2/c1-32-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-22(23(32)33)27-24(34)25-17-13-11-16(12-14-17)21-28-30-31-29-21/h2-14,22H,1H3,(H2,25,27,34)(H,28,29,30,31)/t22-/m1/s1
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n/an/a 1.02n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50020271
PNG
((RS)-[3-[3-(4-Chloro-phenyl)-ureido]-5-(2-fluoro-p...)
Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14|
Show InChI InChI=1S/C26H22ClFN4O4/c1-2-36-22(33)15-32-21-10-6-4-8-19(21)23(18-7-3-5-9-20(18)28)30-24(25(32)34)31-26(35)29-17-13-11-16(27)12-14-17/h3-14,24H,2,15H2,1H3,(H2,29,31,35)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50456293
PNG
(CHEMBL2111922)
Show SMILES COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:12|
Show InChI InChI=1S/C24H22N4O3/c1-28-20-14-7-6-13-19(20)21(16-9-4-3-5-10-16)26-22(23(28)29)27-24(30)25-17-11-8-12-18(15-17)31-2/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50456298
PNG
(CHEMBL2092976)
Show SMILES Clc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1 |r,t:10|
Show InChI InChI=1S/C28H26ClN5O3/c29-20-12-14-21(15-13-20)30-28(37)32-26-27(36)34(18-24(35)33-16-6-7-17-33)23-11-5-4-10-22(23)25(31-26)19-8-2-1-3-9-19/h1-5,8-15,26H,6-7,16-18H2,(H2,30,32,37)/t26-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50020270
PNG
((RS)-1-(4-Chloro-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrro...)
Show SMILES Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1 |t:10|
Show InChI InChI=1S/C28H26ClN5O3/c29-20-12-14-21(15-13-20)30-28(37)32-26-27(36)34(18-24(35)33-16-6-7-17-33)23-11-5-4-10-22(23)25(31-26)19-8-2-1-3-9-19/h1-5,8-15,26H,6-7,16-18H2,(H2,30,32,37)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028420
PNG
(CHEMBL3355137)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(C)cc1F |r,c:18|
Show InChI InChI=1S/C25H29FN4O2/c1-14-5-6-18(21(26)9-14)20-11-23-22(10-19(20)17-7-8-29(4)12-15(17)2)30-16(3)25(31)28-27-24(30)13-32-23/h5-6,9-11,15-17H,7-8,12-13H2,1-4H3,(H,28,31)/t15-,16+,17+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028417
PNG
(CHEMBL3355134)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1c(F)cccc1F |r,wU:1.0,12.13,7.8,c:18,(44.88,-28.71,;43.52,-27.99,;42.21,-28.8,;40.85,-28.09,;39.55,-28.9,;40.8,-26.55,;42.1,-25.73,;43.46,-26.45,;44.91,-25.87,;46.24,-26.64,;47.57,-25.87,;48.91,-26.64,;48.91,-28.17,;47.57,-28.95,;50.24,-28.95,;50.24,-30.49,;51.57,-28.17,;51.57,-26.64,;50.24,-25.87,;50.24,-24.33,;48.91,-23.56,;47.57,-24.33,;46.24,-23.56,;44.91,-24.33,;43.55,-23.55,;43.82,-22.03,;45.26,-21.5,;42.64,-21.04,;41.19,-21.57,;40.93,-23.08,;42.11,-24.07,;41.58,-25.52,)|
Show InChI InChI=1S/C24H26F2N4O2/c1-13-11-29(3)8-7-15(13)16-9-20-21(10-17(16)23-18(25)5-4-6-19(23)26)32-12-22-27-28-24(31)14(2)30(20)22/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,28,31)/t13-,14+,15+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028422
PNG
(CHEMBL3355138)
Show SMILES COc1ccc(c(F)c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C |r,t:15|
Show InChI InChI=1S/C25H29FN4O3/c1-14-12-29(3)8-7-17(14)19-10-22-23(33-13-24-27-28-25(31)15(2)30(22)24)11-20(19)18-6-5-16(32-4)9-21(18)26/h5-6,9-11,14-15,17H,7-8,12-13H2,1-4H3,(H,28,31)/t14-,15+,17+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50456285
PNG
(CHEMBL2448131)
Show SMILES COc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:12|
Show InChI InChI=1S/C24H22N4O3/c1-28-20-14-7-6-13-19(20)21(16-9-4-3-5-10-16)26-22(23(28)29)27-24(30)25-17-11-8-12-18(15-17)31-2/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043507
PNG
(1-Indan-5-yl-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydr...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2ccc3CCCc3c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C26H24N4O2/c1-30-22-13-6-5-12-21(22)23(18-8-3-2-4-9-18)28-24(25(30)31)29-26(32)27-20-15-14-17-10-7-11-19(17)16-20/h2-6,8-9,12-16,24H,7,10-11H2,1H3,(H2,27,29,32)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50043497
PNG
(1-(2,4-Dichloro-phenyl)-3-(1-methyl-2-oxo-5-phenyl...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H18Cl2N4O2/c1-29-19-10-6-5-9-16(19)20(14-7-3-2-4-8-14)27-21(22(29)30)28-23(31)26-18-12-11-15(24)13-17(18)25/h2-13,21H,1H3,(H2,26,28,31)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028433
PNG
(CHEMBL3355125)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)C2CCN(C)CC2(C)C)-c2ccccc2F)=NNC1=O |r,c:31|
Show InChI InChI=1S/C25H29FN4O2/c1-15-24(31)28-27-23-13-32-22-12-17(16-7-5-6-8-20(16)26)18(11-21(22)30(15)23)19-9-10-29(4)14-25(19,2)3/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3,(H,28,31)/t15-,19?/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028423
PNG
(CHEMBL3355127)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:18|
Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15+,16+/m0/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028439
PNG
(CHEMBL3355119)
Show SMILES C[C@H](c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F)C1(C)CN(C)C1 |r,c:11|
Show InChI InChI=1S/C24H27FN4O2/c1-14(24(3)12-28(4)13-24)17-9-20-21(10-18(17)16-7-5-6-8-19(16)25)31-11-22-26-27-23(30)15(2)29(20)22/h5-10,14-15H,11-13H2,1-4H3,(H,27,30)/t14-,15-/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50429094
PNG
(CHEMBL2335783)
Show SMILES Cc1cc(F)ccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1
Show InChI InChI=1S/C18H16FN3O4S/c1-10-8-11(19)6-7-13(10)21-18(24)15-9-16(23)12-4-3-5-14(17(12)20-15)22-27(2,25)26/h3-9,22H,1-2H3,(H,20,23)(H,21,24)
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20...

Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043537
PNG
(1-(3-Methoxy-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,...)
Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |t:12|
Show InChI InChI=1S/C24H22N4O3/c1-28-20-14-7-6-13-19(20)21(16-9-4-3-5-10-16)26-22(23(28)29)27-24(30)25-17-11-8-12-18(15-17)31-2/h3-15,22H,1-2H3,(H2,25,27,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50043563
PNG
(1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2ccccc2[N+]([O-])=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19N5O4/c1-27-18-13-7-5-11-16(18)20(15-9-3-2-4-10-15)25-21(22(27)29)26-23(30)24-17-12-6-8-14-19(17)28(31)32/h2-14,21H,1H3,(H2,24,26,30)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50429098
PNG
(CHEMBL2335784)
Show SMILES Cc1c(F)cccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1
Show InChI InChI=1S/C18H16FN3O4S/c1-10-12(19)6-4-7-13(10)21-18(24)15-9-16(23)11-5-3-8-14(17(11)20-15)22-27(2,25)26/h3-9,22H,1-2H3,(H,20,23)(H,21,24)
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20...

Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043481
PNG
(1-{1-[2-(4-Methyl-piperazin-1-yl)-2-oxo-ethyl]-2-o...)
Show SMILES CN1CCN(CC1)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:19|
Show InChI InChI=1S/C30H32N6O3/c1-21-9-8-12-23(19-21)31-30(39)33-28-29(38)36(20-26(37)35-17-15-34(2)16-18-35)25-14-7-6-13-24(25)27(32-28)22-10-4-3-5-11-22/h3-14,19,28H,15-18,20H2,1-2H3,(H2,31,33,39)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50456296
PNG
(CHEMBL2111923)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(Br)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C23H19BrN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043488
PNG
(2-{3-[3-(2-Chloro-phenyl)-ureido]-2-oxo-5-phenyl-2...)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |c:16|
Show InChI InChI=1S/C28H28ClN5O3/c1-3-33(4-2)24(35)18-34-23-17-11-8-14-20(23)25(19-12-6-5-7-13-19)31-26(27(34)36)32-28(37)30-22-16-10-9-15-21(22)29/h5-17,26H,3-4,18H2,1-2H3,(H2,30,32,37)
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043505
PNG
(1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H19F3N4O2/c1-31-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)29-21(22(31)32)30-23(33)28-17-11-7-10-16(14-17)24(25,26)27/h2-14,21H,1H3,(H2,28,30,33)
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50429070
PNG
(CHEMBL2335742)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21)
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n/an/a 4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20...

Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028443
PNG
(CHEMBL3355117)
Show SMILES C[C@H]1N2C(COc3cc(-c4ccccc4)c(cc23)N(C)C2(C)CN(C)C2)=NNC1=O |r,c:29|
Show InChI InChI=1S/C23H27N5O2/c1-15-22(29)25-24-21-12-30-20-10-17(16-8-6-5-7-9-16)18(11-19(20)28(15)21)27(4)23(2)13-26(3)14-23/h5-11,15H,12-14H2,1-4H3,(H,25,29)/t15-/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50429101
PNG
(CHEMBL2335780)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H13F2N3O4S/c1-27(25,26)22-13-4-2-3-10-15(23)8-14(20-16(10)13)17(24)21-12-6-5-9(18)7-11(12)19/h2-8,22H,1H3,(H,20,23)(H,21,24)
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20...

Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028442
PNG
(CHEMBL3355118)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CN(C)C2)-c2ccccc2F)=NNC1=O |r,c:30|
Show InChI InChI=1S/C23H26FN5O2/c1-14-22(30)26-25-21-11-31-20-9-16(15-7-5-6-8-17(15)24)18(10-19(20)29(14)21)28(4)23(2)12-27(3)13-23/h5-10,14H,11-13H2,1-4H3,(H,26,30)/t14-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028435
PNG
(CHEMBL3355123)
Show SMILES C[C@H]1CNCC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:17|
Show InChI InChI=1S/C23H25FN4O2/c1-13-11-25-8-7-15(13)17-9-20-21(10-18(17)16-5-3-4-6-19(16)24)30-12-22-26-27-23(29)14(2)28(20)22/h3-6,9-10,13-15,25H,7-8,11-12H2,1-2H3,(H,27,29)/t13-,14+,15+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50043513
PNG
(1-(3-Bromo-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(Br)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19BrN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043568
PNG
(1-(3-Methoxy-phenyl)-3-{1-[2-(4-methyl-piperazin-1...)
Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 |t:12|
Show InChI InChI=1S/C30H32N6O4/c1-34-15-17-35(18-16-34)26(37)20-36-25-14-7-6-13-24(25)27(21-9-4-3-5-10-21)32-28(29(36)38)33-30(39)31-22-11-8-12-23(19-22)40-2/h3-14,19,28H,15-18,20H2,1-2H3,(H2,31,33,39)
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043572
PNG
(1-(3-Acetyl-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(C)=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H22N4O3/c1-16(30)18-11-8-12-19(15-18)26-25(32)28-23-24(31)29(2)21-14-7-6-13-20(21)22(27-23)17-9-4-3-5-10-17/h3-15,23H,1-2H3,(H2,26,28,32)
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043567
PNG
(CHEMBL137567 | {3-[3-(1-Methyl-2-oxo-5-phenyl-2,3-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(CC(O)=O)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H22N4O4/c1-29-20-13-6-5-12-19(20)22(17-9-3-2-4-10-17)27-23(24(29)32)28-25(33)26-18-11-7-8-16(14-18)15-21(30)31/h2-14,23H,15H2,1H3,(H,30,31)(H2,26,28,33)
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n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043513
PNG
(1-(3-Bromo-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(Br)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19BrN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028419
PNG
(CHEMBL3355136)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc2OCCOc2c1 |r,c:18|
Show InChI InChI=1S/C26H30N4O4/c1-15-13-29(3)7-6-18(15)20-11-21-23(34-14-25-27-28-26(31)16(2)30(21)25)12-19(20)17-4-5-22-24(10-17)33-9-8-32-22/h4-5,10-12,15-16,18H,6-9,13-14H2,1-3H3,(H,28,31)/t15-,16+,18+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50028432
PNG
(CHEMBL3355126)
Show SMILES CCN1CC[C@H]([C@@H](C)C1)c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:19|
Show InChI InChI=1S/C25H29FN4O2/c1-4-29-10-9-17(15(2)13-29)19-11-22-23(12-20(19)18-7-5-6-8-21(18)26)32-14-24-27-28-25(31)16(3)30(22)24/h5-8,11-12,15-17H,4,9-10,13-14H2,1-3H3,(H,28,31)/t15-,16+,17+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...

J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043503
PNG
(CHEMBL135218 | Diethylamino-acetic acid 2-[2-oxo-5...)
Show SMILES CCN(CC)CC(=O)OCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:19|
Show InChI InChI=1S/C31H35N5O4/c1-4-35(5-2)21-27(37)40-19-18-36-26-17-10-9-16-25(26)28(23-13-7-6-8-14-23)33-29(30(36)38)34-31(39)32-24-15-11-12-22(3)20-24/h6-17,20,29H,4-5,18-19,21H2,1-3H3,(H2,32,34,39)
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n/an/a 5.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043518
PNG
(1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H19F3N4O2/c1-31-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)29-21(22(31)32)30-23(33)28-17-13-11-16(12-14-17)24(25,26)27/h2-14,21H,1H3,(H2,28,30,33)
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043521
PNG
(3-{3-[3-(4-Chloro-phenyl)-ureido]-2-oxo-5-phenyl-2...)
Show SMILES CCOC(=O)CCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:15|
Show InChI InChI=1S/C27H25ClN4O4/c1-2-36-23(33)16-17-32-22-11-7-6-10-21(22)24(18-8-4-3-5-9-18)30-25(26(32)34)31-27(35)29-20-14-12-19(28)13-15-20/h3-15,25H,2,16-17H2,1H3,(H2,29,31,35)
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n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043577
PNG
(1-[3-(1-Hydroxy-1-methyl-ethyl)-benzyl]-3-(1-methy...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)NCc2cccc(c2)C(C)(C)O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C27H28N4O3/c1-27(2,34)20-13-9-10-18(16-20)17-28-26(33)30-24-25(32)31(3)22-15-8-7-14-21(22)23(29-24)19-11-5-4-6-12-19/h4-16,24,34H,17H2,1-3H3,(H2,28,30,33)
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n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50043559
PNG
(1-[1-(3-Chloro-2-hydroxy-propyl)-2-oxo-5-phenyl-2,...)
Show SMILES O[C@@H](CCl)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C25H22Cl2N4O3/c26-14-19(32)15-31-21-9-5-4-8-20(21)22(16-6-2-1-3-7-16)29-23(24(31)33)30-25(34)28-18-12-10-17(27)11-13-18/h1-13,19,23,32H,14-15H2,(H2,28,30,34)/t19-,23?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor

J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
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