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Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'woodruff' and Initial = 'gn'   
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
Cholecystokinin receptor


(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
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 0.100n/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50033600
PNG
(Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMBL...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21-,22+,23-,24+,26-,30?,33+/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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
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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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033586
PNG
(3-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indol-3...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H39N3O4/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,32(40)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-31(39)30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,40)(H,36,39)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033600
PNG
(Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMBL...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21-,22+,23-,24+,26-,30?,33+/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50456331
PNG
(CHEMBL2111203)
Show SMILES O.CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O4.H2O/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21;/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35);1H2/t20?,23?,26?,29-;/m1./s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50456329
PNG
(CHEMBL2111261)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H39N3O5.H2O/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21;/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38);1H2/t21-,22+,23-,24+,26-,30?,33+;/m0./s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033587
PNG
((1R,2R)-[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoy...)
Show SMILES CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20?,23-,26?,29+/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50007439
PNG
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033606
PNG
(3-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indo...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1
Show InChI InChI=1S/C35H40N4O5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-33(43)32-24-14-21-13-22(16-24)17-25(32)15-21)34(44)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,44)(H,38,40)(H,39,43)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50452998
PNG
(CHEMBL2112693)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CC(O)=O)c1ccccc1
Show InChI InChI=1S/C34H40N4O6.H2O/c1-34(17-25-18-35-27-10-6-5-9-26(25)27,38-33(43)44-31-23-12-20-11-21(14-23)15-24(31)13-20)32(42)36-19-28(22-7-3-2-4-8-22)37-29(39)16-30(40)41;/h2-10,18,20-21,23-24,28,31,35H,11-17,19H2,1H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41);1H2/t20-,21+,23-,24+,28-,31?,34+;/m0./s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033604
PNG
(3-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indo...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H42N4O5/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-34(44)33-25-14-23-13-24(16-25)17-26(33)15-23)35(45)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,45)(H,40,44)(H,42,43)/b12-11+/t23?,24?,25?,26?,28-,33?,36+/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50007449
PNG
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H42N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50024321
PNG
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50024321
PNG
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033592
PNG
(3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclo...)
Show SMILES C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H40N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,16-17,20,22,25,28,34H,6,9-10,15,18-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25-,28?,33+/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033598
PNG
(CHEMBL345511 | N-{2-[2-[(Adamantane-2-carbonyl)-am...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H42N4O5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-33(43)32-24-14-21-13-22(16-24)17-25(32)15-21)34(44)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,44)(H,38,40)(H,39,43)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50449787
PNG
(CHEMBL2062154 | PD-134308)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50007448
PNG
(CHEMBL131754 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-29-10-6-5-9-28(26)29,39-34(44)45-32-24-12-22-11-23(14-24)15-25(32)13-22)33(43)38-27(16-21-7-3-2-4-8-21)20-37-30(40)17-31(41)42/h2-10,19,22-25,27,32,36H,11-18,20H2,1H3,(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t22-,23+,24-,25+,27-,32?,35+/m0/s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50007436
PNG
(CHEMBL334346 | Succinic acid mono-{2-[2-(adamantan...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H43N3O7/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,39-35(44)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(43)38-28(18-22-7-3-2-4-8-22)21-45-32(42)12-11-31(40)41/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,43)(H,39,44)(H,40,41)/t23-,24+,25-,26+,28-,33?,36+/m0/s1
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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033593
PNG
(CHEMBL356599 | Succinic acid mono-{2-[2-[(adamanta...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H43N3O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,39-34(43)33-25-14-23-13-24(16-25)17-26(33)15-23)35(44)38-28(18-22-7-3-2-4-8-22)21-45-32(42)12-11-31(40)41/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,44)(H,39,43)(H,40,41)/t23?,24?,25?,26?,28-,33?,36+/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKA


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033596
PNG
(CHEMBL153557 | N-{2-[3-(1H-Indol-3-yl)-2-methyl-2-...)
Show SMILES C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C32H40N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,19,21,26-27,33H,6,9-10,15-18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/t21-,26-,27?,32+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033599
PNG
(3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclo...)
Show SMILES C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1
Show InChI InChI=1S/C32H38N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,16-17,19,21,26-27,33H,6,9-10,15,18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/t21-,26-,27?,32+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033602
PNG
(CHEMBL359361 | N-{2-[2-[(Adamantane-2-carbonyl)-am...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H44N4O5/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-34(44)33-25-14-23-13-24(16-25)17-26(33)15-23)35(45)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,45)(H,40,44)(H,42,43)/t23?,24?,25?,26?,28-,33?,36+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50007446
PNG
(CHEMBL335914 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50007443
PNG
(4-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C37H46N4O6/c1-37(20-28-21-38-31-11-6-5-10-30(28)31,41-36(46)47-34-26-15-24-14-25(17-26)18-27(34)16-24)35(45)40-29(19-23-8-3-2-4-9-23)22-39-32(42)12-7-13-33(43)44/h2-6,8-11,21,24-27,29,34,38H,7,12-20,22H2,1H3,(H,39,42)(H,40,45)(H,41,46)(H,43,44)/t24-,25+,26-,27+,29-,34?,37+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
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-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
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-/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033607
PNG
(Adamantane-2-carboxylic acid [1-(1-hydroxymethyl-2...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C32H39N3O3/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,31(38)34-26(19-36)16-20-7-3-2-4-8-20)35-30(37)29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,38)(H,35,37)/t21?,22?,23?,24?,26-,29?,32+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50007437
PNG
(CHEMBL423329 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21-,22+,23-,24+,26-,29?,32+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50007437
PNG
(CHEMBL423329 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21-,22+,23-,24+,26-,29?,32+/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033603
PNG
(3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclo...)
Show SMILES C[C@@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H40N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,16-17,20,22,25,28,34H,6,9-10,15,18-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25+,28?,33-/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50453000
PNG
(CHEMBL2112695)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(OC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H41N3O7/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,38-34(43)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(42)37-20-29(23-7-3-2-4-8-23)44-31(41)12-11-30(39)40/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,42)(H,38,43)(H,39,40)/t21-,22+,24-,25+,29?,32?,35-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor


J Med Chem 34: 404-14 (1991)


Article DOI: 10.1021/jm00105a062
BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033585
PNG
(CHEMBL153760 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1Cl)C2)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C32H38ClN3O4/c1-31(17-24-18-34-27-10-6-5-9-26(24)27,29(38)35-25(19-37)14-20-7-3-2-4-8-20)36-30(39)40-32-15-21-11-22(16-32)13-23(12-21)28(32)33/h2-10,18,21-23,25,28,34,37H,11-17,19H2,1H3,(H,35,38)(H,36,39)/t21-,22+,23-,25-,28?,31+,32?/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50033587
PNG
((1R,2R)-[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoy...)
Show SMILES CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20?,23-,26?,29+/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50050649
PNG
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O
Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50281277
PNG
((R)-3-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21-,22+,23-,24+,26-,30?,33-/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
MMDB

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n/an/a 11n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033605
PNG
(CHEMBL436065 | N-{2-[3-(1H-Indol-3-yl)-2-methyl-2-...)
Show SMILES C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C33H42N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,20,22,25,28,34H,6,9-10,15-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25-,28?,33+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
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