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PubMed code 2153212

Compile data set for download or QSAR
Found 87 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013184
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-1...)
Show SMILES CN1C(CNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2F)c2ccccc12 |t:19|
Show InChI InChI=1S/C26H23FN4O/c1-31-18(16-29-26(32)23-14-17-8-2-6-12-22(17)30-23)15-28-25(19-9-3-5-11-21(19)27)20-10-4-7-13-24(20)31/h2-14,18,30H,15-16H2,1H3,(H,29,32)
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013209
PNG
(4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihyd...)
Show SMILES CN1C(CNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2F)c2ccccc12 |t:16|
Show InChI InChI=1S/C24H21ClFN3O/c1-29-18(15-28-24(30)16-10-12-17(25)13-11-16)14-27-23(19-6-2-4-8-21(19)26)20-7-3-5-9-22(20)29/h2-13,18H,14-15H2,1H3,(H,28,30)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50452659
PNG
(CHEMBL304546)
Show SMILES CN1[C@H](CNC(=O)c2ccc(C)cc2)CN=C(c2ccc(F)cc2)c2ccc(C)cc12 |t:16|
Show InChI InChI=1S/C26H26FN3O/c1-17-4-7-20(8-5-17)26(31)29-16-22-15-28-25(19-9-11-21(27)12-10-19)23-13-6-18(2)14-24(23)30(22)3/h4-14,22H,15-16H2,1-3H3,(H,29,31)/t22-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013185
PNG
(2-Benzo[b]thiophen-4-yl-N-[5-(2-fluoro-phenyl)-1-m...)
Show SMILES CN1C(CNC(=O)Cc2cccc3sccc23)CN=C(c2ccccc2F)c2ccccc12 |t:20|
Show InChI InChI=1S/C27H24FN3OS/c1-31-19(16-29-26(32)15-18-7-6-12-25-20(18)13-14-33-25)17-30-27(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)31/h2-14,19H,15-17H2,1H3,(H,29,32)
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013208
PNG
(CHEMBL337530 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)C(O)c2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O2/c1-29-18(16-28-25(31)24(30)17-9-3-2-4-10-17)15-27-23(19-11-5-7-13-21(19)26)20-12-6-8-14-22(20)29/h2-14,18,24,30H,15-16H2,1H3,(H,28,31)
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013182
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2cc3ccccc3[nH]2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C25H21FN4O/c26-20-10-4-2-8-18(20)24-19-9-3-6-12-22(19)27-14-17(29-24)15-28-25(31)23-13-16-7-1-5-11-21(16)30-23/h1-13,17,27,30H,14-15H2,(H,28,31)
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n/an/a 8.60n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013191
PNG
(3-{[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-be...)
Show SMILES COC(=O)CC(NCC1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 |t:10|
Show InChI InChI=1S/C27H28FN3O2/c1-31-20(17-29-24(16-26(32)33-2)19-10-4-3-5-11-19)18-30-27(21-12-6-8-14-23(21)28)22-13-7-9-15-25(22)31/h3-15,20,24,29H,16-18H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013191
PNG
(3-{[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-be...)
Show SMILES COC(=O)CC(NCC1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 |t:10|
Show InChI InChI=1S/C27H28FN3O2/c1-31-20(17-29-24(16-26(32)33-2)19-10-4-3-5-11-19)18-30-27(21-12-6-8-14-23(21)28)22-13-7-9-15-25(22)31/h3-15,20,24,29H,16-18H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013199
PNG
(CHEMBL342415 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)Cc2c[nH]c3ccccc23)CN=C(c2ccccc2F)c2ccccc12 |t:20|
Show InChI InChI=1S/C27H25FN4O/c1-32-19(16-30-26(33)14-18-15-29-24-12-6-3-8-20(18)24)17-31-27(21-9-2-5-11-23(21)28)22-10-4-7-13-25(22)32/h2-13,15,19,29H,14,16-17H2,1H3,(H,30,33)
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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50452659
PNG
(CHEMBL304546)
Show SMILES CN1[C@H](CNC(=O)c2ccc(C)cc2)CN=C(c2ccc(F)cc2)c2ccc(C)cc12 |t:16|
Show InChI InChI=1S/C26H26FN3O/c1-17-4-7-20(8-5-17)26(31)29-16-22-15-28-25(19-9-11-21(27)12-10-19)23-13-6-18(2)14-24(23)30(22)3/h4-14,22H,15-16H2,1-3H3,(H,29,31)/t22-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013195
PNG
(CHEMBL140749 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CNC(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H22FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16,21,24H,12-13H2,1H3,(H,25,27)
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n/an/a 30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013188
PNG
(2-Amino-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydr...)
Show SMILES CN1C(CNC(=O)C(N)Cc2c[nH]c3ccccc23)CN=C(c2ccccc2F)c2ccccc12 |t:22|
Show InChI InChI=1S/C28H28FN5O/c1-34-19(17-33-28(35)24(30)14-18-15-31-25-12-6-3-8-20(18)25)16-32-27(21-9-2-5-11-23(21)29)22-10-4-7-13-26(22)34/h2-13,15,19,24,31H,14,16-17,30H2,1H3,(H,33,35)
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n/an/a 40n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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n/an/a 47n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50452658
PNG
(CHEMBL68870)
Show SMILES CN1[C@@H](CNC(=O)c2ccc(C)cc2)CN=C(c2ccc(F)cc2)c2ccc(C)cc12 |t:16|
Show InChI InChI=1S/C26H26FN3O/c1-17-4-7-20(8-5-17)26(31)29-16-22-15-28-25(19-9-11-21(27)12-10-19)23-13-6-18(2)14-24(23)30(22)3/h4-14,22H,15-16H2,1-3H3,(H,29,31)/t22-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013192
PNG
(CHEMBL140495 | [5-(2-Fluoro-phenyl)-2,3-dihydro-1H...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23-20-11-5-7-13-22(20)26-14-18(28-23)15-27-24(29)30-16-17-8-2-1-3-9-17/h1-13,18,26H,14-16H2,(H,27,29)
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n/an/a 91n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013204
PNG
(CHEMBL343158 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2ccsc2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C21H18FN3OS/c22-18-7-3-1-5-16(18)20-17-6-2-4-8-19(17)23-11-15(25-20)12-24-21(26)14-9-10-27-13-14/h1-10,13,15,23H,11-12H2,(H,24,26)
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n/an/a 93n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013205
PNG
(2-(Acetylamino-methylsulfanyl)-N-[5-(2-fluoro-phen...)
Show SMILES CN1C(CNC(=O)CSCNC(C)=O)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Show InChI InChI=1S/C22H25FN4O2S/c1-15(28)26-14-30-13-21(29)24-11-16-12-25-22(17-7-3-5-9-19(17)23)18-8-4-6-10-20(18)27(16)2/h3-10,16H,11-14H2,1-2H3,(H,24,29)(H,26,28)
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n/an/a 120n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013184
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-1...)
Show SMILES CN1C(CNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2F)c2ccccc12 |t:19|
Show InChI InChI=1S/C26H23FN4O/c1-31-18(16-29-26(32)23-14-17-8-2-6-12-22(17)30-23)15-28-25(19-9-3-5-11-21(19)27)20-10-4-7-13-24(20)31/h2-14,18,30H,15-16H2,1H3,(H,29,32)
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n/an/a 160n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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n/an/a 245n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50452658
PNG
(CHEMBL68870)
Show SMILES CN1[C@@H](CNC(=O)c2ccc(C)cc2)CN=C(c2ccc(F)cc2)c2ccc(C)cc12 |t:16|
Show InChI InChI=1S/C26H26FN3O/c1-17-4-7-20(8-5-17)26(31)29-16-22-15-28-25(19-9-11-21(27)12-10-19)23-13-6-18(2)14-24(23)30(22)3/h4-14,22H,15-16H2,1-3H3,(H,29,31)/t22-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013197
PNG
(CHEMBL140620 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)c2cccnc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H21FN4O/c1-28-17(15-27-23(29)16-7-6-12-25-13-16)14-26-22(18-8-2-4-10-20(18)24)19-9-3-5-11-21(19)28/h2-13,17H,14-15H2,1H3,(H,27,29)
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n/an/a 450n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013185
PNG
(2-Benzo[b]thiophen-4-yl-N-[5-(2-fluoro-phenyl)-1-m...)
Show SMILES CN1C(CNC(=O)Cc2cccc3sccc23)CN=C(c2ccccc2F)c2ccccc12 |t:20|
Show InChI InChI=1S/C27H24FN3OS/c1-31-19(16-29-26(32)15-18-7-6-12-25-20(18)13-14-33-25)17-30-27(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)31/h2-14,19H,15-17H2,1H3,(H,29,32)
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n/an/a 450n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013203
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C25H19FN4O2/c26-18-10-4-2-8-16(18)23-17-9-3-6-12-20(17)30-25(32)22(29-23)14-27-24(31)21-13-15-7-1-5-11-19(15)28-21/h1-13,22,28H,14H2,(H,27,31)(H,30,32)
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n/an/a 540n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013208
PNG
(CHEMBL337530 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)C(O)c2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O2/c1-29-18(16-28-25(31)24(30)17-9-3-2-4-10-17)15-27-23(19-11-5-7-13-21(19)26)20-12-6-8-14-22(20)29/h2-14,18,24,30H,15-16H2,1H3,(H,28,31)
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n/an/a 600n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013209
PNG
(4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihyd...)
Show SMILES CN1C(CNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2F)c2ccccc12 |t:16|
Show InChI InChI=1S/C24H21ClFN3O/c1-29-18(15-28-24(30)16-10-12-17(25)13-11-16)14-27-23(19-6-2-4-8-21(19)26)20-7-3-5-9-22(20)29/h2-13,18H,14-15H2,1H3,(H,28,30)
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n/an/a 800n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013199
PNG
(CHEMBL342415 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)Cc2c[nH]c3ccccc23)CN=C(c2ccccc2F)c2ccccc12 |t:20|
Show InChI InChI=1S/C27H25FN4O/c1-32-19(16-30-26(33)14-18-15-29-24-12-6-3-8-20(18)24)17-31-27(21-9-2-5-11-23(21)28)22-10-4-7-13-25(22)32/h2-13,15,19,29H,14,16-17H2,1H3,(H,30,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013200
PNG
(CHEMBL141051 | [5-(2-Fluoro-phenyl)-1-methyl-2,3-d...)
Show SMILES CN1C(CNc2cccc(c2)C(F)(F)F)CN=C(c2ccccc2F)c2ccccc12 |t:17|
Show InChI InChI=1S/C24H21F4N3/c1-31-18(14-29-17-8-6-7-16(13-17)24(26,27)28)15-30-23(19-9-2-4-11-21(19)25)20-10-3-5-12-22(20)31/h2-13,18,29H,14-15H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013187
PNG
(2-Fluoro-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihyd...)
Show SMILES CN1C(CNC(=O)c2ccccc2F)CN=C(c2ccccc2F)c2ccccc12 |t:16|
Show InChI InChI=1S/C24H21F2N3O/c1-29-16(15-28-24(30)18-9-3-6-12-21(18)26)14-27-23(17-8-2-5-11-20(17)25)19-10-4-7-13-22(19)29/h2-13,16H,14-15H2,1H3,(H,28,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013182
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2cc3ccccc3[nH]2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C25H21FN4O/c26-20-10-4-2-8-18(20)24-19-9-3-6-12-22(19)27-14-17(29-24)15-28-25(31)23-13-16-7-1-5-11-21(16)30-23/h1-13,17,27,30H,14-15H2,(H,28,31)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013190
PNG
(CHEMBL342256 | [1-{[5-(2-Fluoro-phenyl)-1-methyl-2...)
Show SMILES CN1C(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:29|
Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)42-32(41)38-28(17-21-18-35-27-15-9-6-11-23(21)27)31(40)37-20-22-19-36-30(24-12-5-8-14-26(24)34)25-13-7-10-16-29(25)39(22)4/h5-16,18,22,28,35H,17,19-20H2,1-4H3,(H,37,40)(H,38,41)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013207
PNG
(2-[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-ben...)
Show SMILES CN1C(CN2C(=O)c3ccccc3C2=O)CN=C(c2ccccc2F)c2ccccc12 |t:18|
Show InChI InChI=1S/C25H20FN3O2/c1-28-16(15-29-24(30)17-8-2-3-9-18(17)25(29)31)14-27-23(19-10-4-6-12-21(19)26)20-11-5-7-13-22(20)28/h2-13,16H,14-15H2,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013195
PNG
(CHEMBL140749 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CNC(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H22FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16,21,24H,12-13H2,1H3,(H,25,27)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013179
PNG
(CHEMBL336690 | [5-(2-Fluoro-phenyl)-1-methyl-2,3-d...)
Show SMILES CC(C)COC(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C |t:11|
Show InChI InChI=1S/C22H26FN3O2/c1-15(2)14-28-22(27)25-13-16-12-24-21(17-8-4-6-10-19(17)23)18-9-5-7-11-20(18)26(16)3/h4-11,15-16H,12-14H2,1-3H3,(H,25,27)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013203
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C25H19FN4O2/c26-18-10-4-2-8-16(18)23-17-9-3-6-12-20(17)30-25(32)22(29-23)14-27-24(31)21-13-15-7-1-5-11-19(15)28-21/h1-13,22,28H,14H2,(H,27,31)(H,30,32)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013183
PNG
(CHEMBL140984 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2ccsc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C21H16FN3O2S/c22-16-7-3-1-5-14(16)19-15-6-2-4-8-17(15)25-21(27)18(24-19)11-23-20(26)13-9-10-28-12-13/h1-10,12,18H,11H2,(H,23,26)(H,25,27)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013186
PNG
((Diastereomer)-N-[5-(2-Fluoro-phenyl)-2,3-dihydro-...)
Show SMILES OC(C(=O)NCC1CNc2ccccc2C(=N1)c1ccccc1F)c1ccccc1 |c:16|
Show InChI InChI=1S/C24H22FN3O2/c25-20-12-6-4-10-18(20)22-19-11-5-7-13-21(19)26-14-17(28-22)15-27-24(30)23(29)16-8-2-1-3-9-16/h1-13,17,23,26,29H,14-15H2,(H,27,30)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013204
PNG
(CHEMBL343158 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2ccsc2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C21H18FN3OS/c22-18-7-3-1-5-16(18)20-17-6-2-4-8-19(17)23-11-15(25-20)12-24-21(26)14-9-10-27-13-14/h1-10,13,15,23H,11-12H2,(H,24,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013197
PNG
(CHEMBL140620 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)c2cccnc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H21FN4O/c1-28-17(15-27-23(29)16-7-6-12-25-13-16)14-26-22(18-8-2-4-10-20(18)24)19-9-3-5-11-21(19)28/h2-13,17H,14-15H2,1H3,(H,27,29)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013188
PNG
(2-Amino-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydr...)
Show SMILES CN1C(CNC(=O)C(N)Cc2c[nH]c3ccccc23)CN=C(c2ccccc2F)c2ccccc12 |t:22|
Show InChI InChI=1S/C28H28FN5O/c1-34-19(17-33-28(35)24(30)14-18-15-31-25-12-6-3-8-20(18)25)16-32-27(21-9-2-5-11-23(21)29)22-10-4-7-13-26(22)34/h2-13,15,19,24,31H,14,16-17,30H2,1H3,(H,33,35)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013189
PNG
(CHEMBL334933 | [5-(2-Fluoro-phenyl)-2-oxo-2,3-dihy...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H20FN3O3/c25-19-12-6-4-10-17(19)22-18-11-5-7-13-20(18)28-23(29)21(27-22)14-26-24(30)31-15-16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H,26,30)(H,28,29)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013194
PNG
(3,3,3-Trifluoro-N-[5-(2-fluoro-phenyl)-1-methyl-2,...)
Show SMILES COC(C(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C)(c1ccccc1)C(F)(F)F |t:9|
Show InChI InChI=1S/C27H25F4N3O2/c1-34-19(17-33-25(35)26(36-2,27(29,30)31)18-10-4-3-5-11-18)16-32-24(20-12-6-8-14-22(20)28)21-13-7-9-15-23(21)34/h3-15,19H,16-17H2,1-2H3,(H,33,35)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013196
PNG
(Bis[5-(2-fluoro-phenyl)-1,3-dihydro-benzo[e][1,4]d...)
Show SMILES Fc1ccccc1C1=NC(CNCC2N=C(c3ccccc3F)c3ccccc3NC2=O)C(=O)Nc2ccccc12 |t:8,15|
Show InChI InChI=1S/C32H25F2N5O2/c33-23-13-5-1-9-19(23)29-21-11-3-7-15-25(21)38-31(40)27(36-29)17-35-18-28-32(41)39-26-16-8-4-12-22(26)30(37-28)20-10-2-6-14-24(20)34/h1-16,27-28,35H,17-18H2,(H,38,40)(H,39,41)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013202
PNG
(3-[(5-Chloro-pyrazin-2-ylamino)-methyl]-5-(2-fluor...)
Show SMILES Fc1ccccc1C1=NC(CNc2cnc(Cl)cn2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C20H15ClFN5O/c21-17-10-25-18(11-23-17)24-9-16-20(28)27-15-8-4-2-6-13(15)19(26-16)12-5-1-3-7-14(12)22/h1-8,10-11,16H,9H2,(H,24,25)(H,27,28)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013184
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-1...)
Show SMILES CN1C(CNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2F)c2ccccc12 |t:19|
Show InChI InChI=1S/C26H23FN4O/c1-31-18(16-29-26(32)23-14-17-8-2-6-12-22(17)30-23)15-28-25(19-9-3-5-11-21(19)27)20-10-4-7-13-24(20)31/h2-14,18,30H,15-16H2,1H3,(H,29,32)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013189
PNG
(CHEMBL334933 | [5-(2-Fluoro-phenyl)-2-oxo-2,3-dihy...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H20FN3O3/c25-19-12-6-4-10-17(19)22-18-11-5-7-13-20(18)28-23(29)21(27-22)14-26-24(30)31-15-16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H,26,30)(H,28,29)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013183
PNG
(CHEMBL140984 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2ccsc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C21H16FN3O2S/c22-16-7-3-1-5-14(16)19-15-6-2-4-8-17(15)25-21(27)18(24-19)11-23-20(26)13-9-10-28-12-13/h1-10,12,18H,11H2,(H,23,26)(H,25,27)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013185
PNG
(2-Benzo[b]thiophen-4-yl-N-[5-(2-fluoro-phenyl)-1-m...)
Show SMILES CN1C(CNC(=O)Cc2cccc3sccc23)CN=C(c2ccccc2F)c2ccccc12 |t:20|
Show InChI InChI=1S/C27H24FN3OS/c1-31-19(16-29-26(32)15-18-7-6-12-25-20(18)13-14-33-25)17-30-27(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)31/h2-14,19H,15-17H2,1H3,(H,29,32)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013181
PNG
((2-(Acetylamino-methylsulfanyl)-1-{[5-(2-fluoro-ph...)
Show SMILES CN1C(CNC(=O)C(CSCNC(C)=O)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:24|
Show InChI InChI=1S/C28H36FN5O4S/c1-18(35)32-17-39-16-23(33-27(37)38-28(2,3)4)26(36)31-15-19-14-30-25(20-10-6-8-12-22(20)29)21-11-7-9-13-24(21)34(19)5/h6-13,19,23H,14-17H2,1-5H3,(H,31,36)(H,32,35)(H,33,37)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013192
PNG
(CHEMBL140495 | [5-(2-Fluoro-phenyl)-2,3-dihydro-1H...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23-20-11-5-7-13-22(20)26-14-18(28-23)15-27-24(29)30-16-17-8-2-1-3-9-17/h1-13,18,26H,14-16H2,(H,27,29)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013203
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C25H19FN4O2/c26-18-10-4-2-8-16(18)23-17-9-3-6-12-20(17)30-25(32)22(29-23)14-27-24(31)21-13-15-7-1-5-11-19(15)28-21/h1-13,22,28H,14H2,(H,27,31)(H,30,32)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013182
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2cc3ccccc3[nH]2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C25H21FN4O/c26-20-10-4-2-8-18(20)24-19-9-3-6-12-22(19)27-14-17(29-24)15-28-25(31)23-13-16-7-1-5-11-21(16)30-23/h1-13,17,27,30H,14-15H2,(H,28,31)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013209
PNG
(4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihyd...)
Show SMILES CN1C(CNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2F)c2ccccc12 |t:16|
Show InChI InChI=1S/C24H21ClFN3O/c1-29-18(15-28-24(30)16-10-12-17(25)13-11-16)14-27-23(19-6-2-4-8-21(19)26)20-7-3-5-9-22(20)29/h2-13,18H,14-15H2,1H3,(H,28,30)
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n/an/a 3.74E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013190
PNG
(CHEMBL342256 | [1-{[5-(2-Fluoro-phenyl)-1-methyl-2...)
Show SMILES CN1C(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:29|
Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)42-32(41)38-28(17-21-18-35-27-15-9-6-11-23(21)27)31(40)37-20-22-19-36-30(24-12-5-8-14-26(24)34)25-13-7-10-16-29(25)39(22)4/h5-16,18,22,28,35H,17,19-20H2,1-4H3,(H,37,40)(H,38,41)
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n/an/a 3.86E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013198
PNG
(CHEMBL343969 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)CCC(=O)OCc2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:21|
Show InChI InChI=1S/C28H28FN3O3/c1-32-21(17-30-26(33)15-16-27(34)35-19-20-9-3-2-4-10-20)18-31-28(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)32/h2-14,21H,15-19H2,1H3,(H,30,33)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013198
PNG
(CHEMBL343969 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)CCC(=O)OCc2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:21|
Show InChI InChI=1S/C28H28FN3O3/c1-32-21(17-30-26(33)15-16-27(34)35-19-20-9-3-2-4-10-20)18-31-28(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)32/h2-14,21H,15-19H2,1H3,(H,30,33)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013204
PNG
(CHEMBL343158 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2ccsc2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C21H18FN3OS/c22-18-7-3-1-5-16(18)20-17-6-2-4-8-19(17)23-11-15(25-20)12-24-21(26)14-9-10-27-13-14/h1-10,13,15,23H,11-12H2,(H,24,26)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013179
PNG
(CHEMBL336690 | [5-(2-Fluoro-phenyl)-1-methyl-2,3-d...)
Show SMILES CC(C)COC(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C |t:11|
Show InChI InChI=1S/C22H26FN3O2/c1-15(2)14-28-22(27)25-13-16-12-24-21(17-8-4-6-10-19(17)23)18-9-5-7-11-20(18)26(16)3/h4-11,15-16H,12-14H2,1-3H3,(H,25,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013193
PNG
(CHEMBL336881 | N*1*,N*1*-Diethyl-N*4*-[5-(2-fluoro...)
Show SMILES CCN(CC)c1ccc(NCC2CN=C(c3ccccc3F)c3ccccc3N2C)cc1C(F)(F)F |t:13|
Show InChI InChI=1S/C28H30F4N4/c1-4-36(5-2)26-15-14-19(16-23(26)28(30,31)32)33-17-20-18-34-27(21-10-6-8-12-24(21)29)22-11-7-9-13-25(22)35(20)3/h6-16,20,33H,4-5,17-18H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013181
PNG
((2-(Acetylamino-methylsulfanyl)-1-{[5-(2-fluoro-ph...)
Show SMILES CN1C(CNC(=O)C(CSCNC(C)=O)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:24|
Show InChI InChI=1S/C28H36FN5O4S/c1-18(35)32-17-39-16-23(33-27(37)38-28(2,3)4)26(36)31-15-19-14-30-25(20-10-6-8-12-22(20)29)21-11-7-9-13-24(21)34(19)5/h6-13,19,23H,14-17H2,1-5H3,(H,31,36)(H,32,35)(H,33,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013201
PNG
(3-Aminomethyl-5-(2-fluoro-phenyl)-1,3-dihydro-benz...)
Show SMILES NCC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:3|
Show InChI InChI=1S/C16H14FN3O/c17-12-7-3-1-5-10(12)15-11-6-2-4-8-13(11)20-16(21)14(9-18)19-15/h1-8,14H,9,18H2,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013205
PNG
(2-(Acetylamino-methylsulfanyl)-N-[5-(2-fluoro-phen...)
Show SMILES CN1C(CNC(=O)CSCNC(C)=O)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Show InChI InChI=1S/C22H25FN4O2S/c1-15(28)26-14-30-13-21(29)24-11-16-12-25-22(17-7-3-5-9-19(17)23)18-8-4-6-10-20(18)27(16)2/h3-10,16H,11-14H2,1-2H3,(H,24,29)(H,26,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013195
PNG
(CHEMBL140749 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CNC(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H22FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16,21,24H,12-13H2,1H3,(H,25,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013207
PNG
(2-[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-ben...)
Show SMILES CN1C(CN2C(=O)c3ccccc3C2=O)CN=C(c2ccccc2F)c2ccccc12 |t:18|
Show InChI InChI=1S/C25H20FN3O2/c1-28-16(15-29-24(30)17-8-2-3-9-18(17)25(29)31)14-27-23(19-10-4-6-12-21(19)26)20-11-5-7-13-22(20)28/h2-13,16H,14-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013206
PNG
(CHEMBL434231 | N'-N-Diethyl-N'-[5-(2-fluoro-phenyl...)
Show SMILES CCN(CC)CNCC1CN=C(c2ccccc2F)c2ccccc2N1C |t:10|
Show InChI InChI=1S/C22H29FN4/c1-4-27(5-2)16-24-14-17-15-25-22(18-10-6-8-12-20(18)23)19-11-7-9-13-21(19)26(17)3/h6-13,17,24H,4-5,14-16H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013205
PNG
(2-(Acetylamino-methylsulfanyl)-N-[5-(2-fluoro-phen...)
Show SMILES CN1C(CNC(=O)CSCNC(C)=O)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Show InChI InChI=1S/C22H25FN4O2S/c1-15(28)26-14-30-13-21(29)24-11-16-12-25-22(17-7-3-5-9-19(17)23)18-8-4-6-10-20(18)27(16)2/h3-10,16H,11-14H2,1-2H3,(H,24,29)(H,26,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013200
PNG
(CHEMBL141051 | [5-(2-Fluoro-phenyl)-1-methyl-2,3-d...)
Show SMILES CN1C(CNc2cccc(c2)C(F)(F)F)CN=C(c2ccccc2F)c2ccccc12 |t:17|
Show InChI InChI=1S/C24H21F4N3/c1-31-18(14-29-17-8-6-7-16(13-17)24(26,27)28)15-30-23(19-9-2-4-11-21(19)25)20-10-3-5-12-22(20)31/h2-13,18,29H,14-15H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013183
PNG
(CHEMBL140984 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)c2ccsc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C21H16FN3O2S/c22-16-7-3-1-5-14(16)19-15-6-2-4-8-17(15)25-21(27)18(24-19)11-23-20(26)13-9-10-28-12-13/h1-10,12,18H,11H2,(H,23,26)(H,25,27)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013194
PNG
(3,3,3-Trifluoro-N-[5-(2-fluoro-phenyl)-1-methyl-2,...)
Show SMILES COC(C(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C)(c1ccccc1)C(F)(F)F |t:9|
Show InChI InChI=1S/C27H25F4N3O2/c1-34-19(17-33-25(35)26(36-2,27(29,30)31)18-10-4-3-5-11-18)16-32-24(20-12-6-8-14-22(20)28)21-13-7-9-15-23(21)34/h3-15,19H,16-17H2,1-2H3,(H,33,35)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013188
PNG
(2-Amino-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydr...)
Show SMILES CN1C(CNC(=O)C(N)Cc2c[nH]c3ccccc23)CN=C(c2ccccc2F)c2ccccc12 |t:22|
Show InChI InChI=1S/C28H28FN5O/c1-34-19(17-33-28(35)24(30)14-18-15-31-25-12-6-3-8-20(18)25)16-32-27(21-9-2-5-11-23(21)29)22-10-4-7-13-26(22)34/h2-13,15,19,24,31H,14,16-17,30H2,1H3,(H,33,35)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013201
PNG
(3-Aminomethyl-5-(2-fluoro-phenyl)-1,3-dihydro-benz...)
Show SMILES NCC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:3|
Show InChI InChI=1S/C16H14FN3O/c17-12-7-3-1-5-10(12)15-11-6-2-4-8-13(11)20-16(21)14(9-18)19-15/h1-8,14H,9,18H2,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013202
PNG
(3-[(5-Chloro-pyrazin-2-ylamino)-methyl]-5-(2-fluor...)
Show SMILES Fc1ccccc1C1=NC(CNc2cnc(Cl)cn2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C20H15ClFN5O/c21-17-10-25-18(11-23-17)24-9-16-20(28)27-15-8-4-2-6-13(15)19(26-16)12-5-1-3-7-14(12)22/h1-8,10-11,16H,9H2,(H,24,25)(H,27,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013186
PNG
((Diastereomer)-N-[5-(2-Fluoro-phenyl)-2,3-dihydro-...)
Show SMILES OC(C(=O)NCC1CNc2ccccc2C(=N1)c1ccccc1F)c1ccccc1 |c:16|
Show InChI InChI=1S/C24H22FN3O2/c25-20-12-6-4-10-18(20)22-19-11-5-7-13-21(19)26-14-17(28-22)15-27-24(30)23(29)16-8-2-1-3-9-16/h1-13,17,23,26,29H,14-15H2,(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50452659
PNG
(CHEMBL304546)
Show SMILES CN1[C@H](CNC(=O)c2ccc(C)cc2)CN=C(c2ccc(F)cc2)c2ccc(C)cc12 |t:16|
Show InChI InChI=1S/C26H26FN3O/c1-17-4-7-20(8-5-17)26(31)29-16-22-15-28-25(19-9-11-21(27)12-10-19)23-13-6-18(2)14-24(23)30(22)3/h4-14,22H,15-16H2,1-3H3,(H,29,31)/t22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013193
PNG
(CHEMBL336881 | N*1*,N*1*-Diethyl-N*4*-[5-(2-fluoro...)
Show SMILES CCN(CC)c1ccc(NCC2CN=C(c3ccccc3F)c3ccccc3N2C)cc1C(F)(F)F |t:13|
Show InChI InChI=1S/C28H30F4N4/c1-4-36(5-2)26-15-14-19(16-23(26)28(30,31)32)33-17-20-18-34-27(21-10-6-8-12-24(21)29)22-11-7-9-13-25(22)35(20)3/h6-16,20,33H,4-5,17-18H2,1-3H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013186
PNG
((Diastereomer)-N-[5-(2-Fluoro-phenyl)-2,3-dihydro-...)
Show SMILES OC(C(=O)NCC1CNc2ccccc2C(=N1)c1ccccc1F)c1ccccc1 |c:16|
Show InChI InChI=1S/C24H22FN3O2/c25-20-12-6-4-10-18(20)22-19-11-5-7-13-21(19)26-14-17(28-22)15-27-24(30)23(29)16-8-2-1-3-9-16/h1-13,17,23,26,29H,14-15H2,(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013189
PNG
(CHEMBL334933 | [5-(2-Fluoro-phenyl)-2-oxo-2,3-dihy...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H20FN3O3/c25-19-12-6-4-10-17(19)22-18-11-5-7-13-20(18)28-23(29)21(27-22)14-26-24(30)31-15-16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H,26,30)(H,28,29)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013206
PNG
(CHEMBL434231 | N'-N-Diethyl-N'-[5-(2-fluoro-phenyl...)
Show SMILES CCN(CC)CNCC1CN=C(c2ccccc2F)c2ccccc2N1C |t:10|
Show InChI InChI=1S/C22H29FN4/c1-4-27(5-2)16-24-14-17-15-25-22(18-10-6-8-12-20(18)23)19-11-7-9-13-21(19)26(17)3/h6-13,17,24H,4-5,14-16H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013197
PNG
(CHEMBL140620 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)c2cccnc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H21FN4O/c1-28-17(15-27-23(29)16-7-6-12-25-13-16)14-26-22(18-8-2-4-10-20(18)24)19-9-3-5-11-21(19)28/h2-13,17H,14-15H2,1H3,(H,27,29)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013208
PNG
(CHEMBL337530 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...)
Show SMILES CN1C(CNC(=O)C(O)c2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O2/c1-29-18(16-28-25(31)24(30)17-9-3-2-4-10-17)15-27-23(19-11-5-7-13-21(19)26)20-12-6-8-14-22(20)29/h2-14,18,24,30H,15-16H2,1H3,(H,28,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50013186
PNG
((Diastereomer)-N-[5-(2-Fluoro-phenyl)-2,3-dihydro-...)
Show SMILES OC(C(=O)NCC1CNc2ccccc2C(=N1)c1ccccc1F)c1ccccc1 |c:16|
Show InChI InChI=1S/C24H22FN3O2/c25-20-12-6-4-10-18(20)22-19-11-5-7-13-21(19)26-14-17(28-22)15-27-24(30)23(29)16-8-2-1-3-9-16/h1-13,17,23,26,29H,14-15H2,(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013192
PNG
(CHEMBL140495 | [5-(2-Fluoro-phenyl)-2,3-dihydro-1H...)
Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)CNc2ccccc12 |t:8|
Show InChI InChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23-20-11-5-7-13-22(20)26-14-18(28-23)15-27-24(29)30-16-17-8-2-1-3-9-17/h1-13,18,26H,14-16H2,(H,27,29)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013196
PNG
(Bis[5-(2-fluoro-phenyl)-1,3-dihydro-benzo[e][1,4]d...)
Show SMILES Fc1ccccc1C1=NC(CNCC2N=C(c3ccccc3F)c3ccccc3NC2=O)C(=O)Nc2ccccc12 |t:8,15|
Show InChI InChI=1S/C32H25F2N5O2/c33-23-13-5-1-9-19(23)29-21-11-3-7-15-25(21)38-31(40)27(36-29)17-35-18-28-32(41)39-26-16-8-4-12-22(26)30(37-28)20-10-2-6-14-24(20)34/h1-16,27-28,35H,17-18H2,(H,38,40)(H,39,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013191
PNG
(3-{[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-be...)
Show SMILES COC(=O)CC(NCC1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 |t:10|
Show InChI InChI=1S/C27H28FN3O2/c1-31-20(17-29-24(16-26(32)33-2)19-10-4-3-5-11-19)18-30-27(21-12-6-8-14-23(21)28)22-13-7-9-15-25(22)31/h3-15,20,24,29H,16-18H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50013187
PNG
(2-Fluoro-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihyd...)
Show SMILES CN1C(CNC(=O)c2ccccc2F)CN=C(c2ccccc2F)c2ccccc12 |t:16|
Show InChI InChI=1S/C24H21F2N3O/c1-29-16(15-28-24(30)18-9-3-6-12-21(18)26)14-27-23(17-8-2-5-11-20(17)25)19-10-4-7-13-22(19)29/h2-13,16H,14-15H2,1H3,(H,28,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%