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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'weng' and Initial = 'jh'   
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


(Homo sapiens (Human))
BDBM50045797
PNG
(2-[3-(4-Chloro-phenyl)-ureido]-3-(1H-indol-3-yl)-2...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H27ClN4O2/c1-27(17-20-18-30-24-10-6-5-9-23(20)24,25(33)29-16-15-19-7-3-2-4-8-19)32-26(34)31-22-13-11-21(28)12-14-22/h2-14,18,30H,15-17H2,1H3,(H,29,33)(H2,31,32,34)
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>0.000100n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046128
PNG
(2-[2-(2-{2-[2-{2-[3-Carboxy-2-(2-methylamino-3-phe...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H56N8O15S/c1-3-5-10-29(39(58)48-31(41(60)50-33(42(61)62)20-36(54)55)17-23-13-15-25(16-14-23)66(63,64)65)46-34(51)22-45-38(57)32(18-24-21-44-28-12-8-7-9-26(24)28)49-40(59)30(11-6-4-2)47-37(56)27(43)19-35(52)53/h7-9,12-16,21,27,29-33,44H,3-6,10-11,17-20,22,43H2,1-2H3,(H,45,57)(H,46,51)(H,47,56)(H,48,58)(H,49,59)(H,50,60)(H,52,53)(H,54,55)(H,61,62)(H,63,64,65)/t27-,29-,30-,31-,32-,33-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
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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0.300n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
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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0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046121
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-(1-{[1-tert-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C35H47N5O7/c1-6-7-16-27(38-32(44)28(20-30(41)42)39-31(43)25(36)18-22-13-9-8-10-14-22)33(45)40(5)29(34(46)47-35(2,3)4)19-23-21-37-26-17-12-11-15-24(23)26/h8-15,17,21,25,27-29,37H,6-7,16,18-20,36H2,1-5H3,(H,38,44)(H,39,43)(H,41,42)/t25-,27-,28-,29-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046115
PNG
(2-[2-(2-{2-[2-[2-(2-Amino-3-carboxy-propionylamino...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C52H67N9O16S/c1-4-6-16-36(47(68)58-39(50(71)61-42(52(73)74)27-45(65)66)24-31-19-21-33(22-20-31)78(75,76)77)56-43(62)29-55-46(67)40(25-32-28-54-35-18-12-11-15-34(32)35)59-48(69)37(17-7-5-2)57-51(72)41(26-44(63)64)60-49(70)38(53-3)23-30-13-9-8-10-14-30/h8-15,18-22,28,36-42,53-54H,4-7,16-17,23-27,29H2,1-3H3,(H,55,67)(H,56,62)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,63,64)(H,65,66)(H,73,74)(H,75,76,77)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
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1n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046111
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-(1-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H49N5O7/c1-6-7-18-31(37(49)44(5)33(38(50)51-39(2,3)4)21-26-23-41-30-19-11-10-17-28(26)30)42-36(48)32(22-34(45)46)43-35(47)29(40)20-25-15-12-14-24-13-8-9-16-27(24)25/h8-17,19,23,29,31-33,41H,6-7,18,20-22,40H2,1-5H3,(H,42,48)(H,43,47)(H,45,46)/t29-,31?,32-,33-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046126
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-b...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H45N5O7/c1-5-6-15-26(37-32(44)27(19-29(40)41)38-30(42)24(35)17-21-12-8-7-9-13-21)31(43)39-28(33(45)46-34(2,3)4)18-22-20-36-25-16-11-10-14-23(22)25/h7-14,16,20,24,26-28,36H,5-6,15,17-19,35H2,1-4H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)/t24-,26-,27-,28-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL




J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046124
PNG
(3-(2-Amino-3-naphthalen-2-yl-propionylamino)-N-(1-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H49N5O7/c1-6-7-15-31(37(49)44(5)33(38(50)51-39(2,3)4)21-27-23-41-30-16-11-10-14-28(27)30)42-36(48)32(22-34(45)46)43-35(47)29(40)20-24-17-18-25-12-8-9-13-26(25)19-24/h8-14,16-19,23,29,31-33,41H,6-7,15,20-22,40H2,1-5H3,(H,42,48)(H,43,47)(H,45,46)/t29-,31?,32-,33+/m1/s1
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5.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045796
PNG
(CHEMBL99939 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(1.85,-13.1,;.54,-13.87,;-.79,-14.65,;-.79,-16.19,;.12,-17.43,;-.77,-18.69,;-2.24,-18.22,;-3.59,-18.99,;-4.92,-18.22,;-4.92,-16.68,;-3.59,-15.9,;-2.26,-16.67,;-.97,-13.47,;-2.3,-12.7,;-3.4,-13.77,;-2.7,-11.21,;-4.18,-10.81,;-5.51,-10.01,;-6.08,-8.59,;-7.72,-8.75,;-8.82,-9.8,;-8.28,-11.21,;-6.99,-11.85,;-5.93,-10.81,;-6.49,-9.52,;-6.67,-11.11,;1.87,-14.64,;1.85,-16.18,;3.41,-14.64,;4.18,-13.3,;5.72,-13.3,;6.49,-11.95,;8.03,-11.97,;8.8,-10.64,;8.01,-9.29,;8.77,-7.96,;6.47,-9.31,;5.7,-10.64,;4.18,-15.97,;5.72,-15.97,;6.49,-17.3,;6.49,-14.63,)|
Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21-,22+,23-,24+,30?,33?
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6.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045796
PNG
(CHEMBL99939 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(1.85,-13.1,;.54,-13.87,;-.79,-14.65,;-.79,-16.19,;.12,-17.43,;-.77,-18.69,;-2.24,-18.22,;-3.59,-18.99,;-4.92,-18.22,;-4.92,-16.68,;-3.59,-15.9,;-2.26,-16.67,;-.97,-13.47,;-2.3,-12.7,;-3.4,-13.77,;-2.7,-11.21,;-4.18,-10.81,;-5.51,-10.01,;-6.08,-8.59,;-7.72,-8.75,;-8.82,-9.8,;-8.28,-11.21,;-6.99,-11.85,;-5.93,-10.81,;-6.49,-9.52,;-6.67,-11.11,;1.87,-14.64,;1.85,-16.18,;3.41,-14.64,;4.18,-13.3,;5.72,-13.3,;6.49,-11.95,;8.03,-11.97,;8.8,-10.64,;8.01,-9.29,;8.77,-7.96,;6.47,-9.31,;5.7,-10.64,;4.18,-15.97,;5.72,-15.97,;6.49,-17.3,;6.49,-14.63,)|
Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21-,22+,23-,24+,30?,33?
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6.5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50046112
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-({[...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C41H45N5O7/c1-41(2,3)53-40(52)34(22-28-24-43-32-20-11-10-19-30(28)32)46(4)39(51)36(26-14-6-5-7-15-26)45-38(50)33(23-35(47)48)44-37(49)31(42)21-27-17-12-16-25-13-8-9-18-29(25)27/h5-20,24,31,33-34,36,43H,21-23,42H2,1-4H3,(H,44,49)(H,45,50)(H,47,48)/t31-,33-,34-,36?/m1/s1
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8.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045805
PNG
(CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)|
Show InChI InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33?
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12n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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12n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity of compound on binding of [3H]pCCK-8 to the cholecystokinin type B receptor in rat brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046119
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-{[1...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C40H43N5O7/c1-40(2,3)52-39(51)33(21-27-23-42-31-19-10-9-18-29(27)31)44-38(50)35(25-13-5-4-6-14-25)45-37(49)32(22-34(46)47)43-36(48)30(41)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,30,32-33,35,42H,20-22,41H2,1-3H3,(H,43,48)(H,44,50)(H,45,49)(H,46,47)/t30-,32-,33-,35?/m1/s1
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14n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50045805
PNG
(CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)|
Show InChI InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33?
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14n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards cholecystokinin type B receptor in mouse brain by displacement of [3H]-pBC264 radioligand (icv)


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50045796
PNG
(CHEMBL99939 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(1.85,-13.1,;.54,-13.87,;-.79,-14.65,;-.79,-16.19,;.12,-17.43,;-.77,-18.69,;-2.24,-18.22,;-3.59,-18.99,;-4.92,-18.22,;-4.92,-16.68,;-3.59,-15.9,;-2.26,-16.67,;-.97,-13.47,;-2.3,-12.7,;-3.4,-13.77,;-2.7,-11.21,;-4.18,-10.81,;-5.51,-10.01,;-6.08,-8.59,;-7.72,-8.75,;-8.82,-9.8,;-8.28,-11.21,;-6.99,-11.85,;-5.93,-10.81,;-6.49,-9.52,;-6.67,-11.11,;1.87,-14.64,;1.85,-16.18,;3.41,-14.64,;4.18,-13.3,;5.72,-13.3,;6.49,-11.95,;8.03,-11.97,;8.8,-10.64,;8.01,-9.29,;8.77,-7.96,;6.47,-9.31,;5.7,-10.64,;4.18,-15.97,;5.72,-15.97,;6.49,-17.3,;6.49,-14.63,)|
Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21-,22+,23-,24+,30?,33?
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14n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards cholecystokinin type A receptor in rat pancreas by displacement of [3H]-pCCK-8 radioligand


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045800
PNG
(CHEMBL317999 | {[2-(Adamantan-2-yloxycarbonylamino...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(6.49,-7.36,;5.16,-8.14,;3.83,-8.91,;3.83,-10.46,;4.74,-11.7,;3.85,-12.96,;2.38,-12.49,;1.03,-13.26,;-.3,-12.49,;-.3,-10.94,;1.03,-10.17,;2.36,-10.94,;3.81,-7.37,;2.48,-6.6,;1.38,-7.68,;2.08,-5.11,;.59,-4.71,;-.74,-3.9,;-1.3,-2.5,;-2.93,-2.64,;-4.05,-3.69,;-3.49,-5.11,;-2.22,-5.75,;-1.14,-4.72,;-1.72,-3.41,;-1.88,-5.02,;6.49,-8.9,;6.49,-10.44,;8.03,-8.9,;8.8,-7.57,;10.34,-7.57,;11.11,-6.23,;10.32,-4.91,;11.09,-3.58,;12.63,-3.57,;13.42,-4.91,;12.65,-6.24,;8.8,-10.23,;10.34,-10.23,;11.11,-11.56,;11.11,-8.9,)|
Show InChI InChI=1S/C33H39N3O5/c1-33(18-26-19-34-28-10-6-5-9-27(26)28,31(39)36(20-29(37)38)12-11-21-7-3-2-4-8-21)35-32(40)41-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19,22-25,30,34H,11-18,20H2,1H3,(H,35,40)(H,37,38)/t22-,23+,24-,25+,30?,33?
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14n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046114
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-{[1...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C1CCCCC1
Show InChI InChI=1S/C40H49N5O7/c1-40(2,3)52-39(51)33(21-27-23-42-31-19-10-9-18-29(27)31)44-38(50)35(25-13-5-4-6-14-25)45-37(49)32(22-34(46)47)43-36(48)30(41)20-26-16-11-15-24-12-7-8-17-28(24)26/h7-12,15-19,23,25,30,32-33,35,42H,4-6,13-14,20-22,41H2,1-3H3,(H,43,48)(H,44,50)(H,45,49)(H,46,47)/t30-,32-,33-,35?/m1/s1
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17n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50045796
PNG
(CHEMBL99939 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(1.85,-13.1,;.54,-13.87,;-.79,-14.65,;-.79,-16.19,;.12,-17.43,;-.77,-18.69,;-2.24,-18.22,;-3.59,-18.99,;-4.92,-18.22,;-4.92,-16.68,;-3.59,-15.9,;-2.26,-16.67,;-.97,-13.47,;-2.3,-12.7,;-3.4,-13.77,;-2.7,-11.21,;-4.18,-10.81,;-5.51,-10.01,;-6.08,-8.59,;-7.72,-8.75,;-8.82,-9.8,;-8.28,-11.21,;-6.99,-11.85,;-5.93,-10.81,;-6.49,-9.52,;-6.67,-11.11,;1.87,-14.64,;1.85,-16.18,;3.41,-14.64,;4.18,-13.3,;5.72,-13.3,;6.49,-11.95,;8.03,-11.97,;8.8,-10.64,;8.01,-9.29,;8.77,-7.96,;6.47,-9.31,;5.7,-10.64,;4.18,-15.97,;5.72,-15.97,;6.49,-17.3,;6.49,-14.63,)|
Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21-,22+,23-,24+,30?,33?
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18n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards CCK-B in rat cortex by displacement of [3H]-pBC264 radioligand


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50045796
PNG
(CHEMBL99939 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(1.85,-13.1,;.54,-13.87,;-.79,-14.65,;-.79,-16.19,;.12,-17.43,;-.77,-18.69,;-2.24,-18.22,;-3.59,-18.99,;-4.92,-18.22,;-4.92,-16.68,;-3.59,-15.9,;-2.26,-16.67,;-.97,-13.47,;-2.3,-12.7,;-3.4,-13.77,;-2.7,-11.21,;-4.18,-10.81,;-5.51,-10.01,;-6.08,-8.59,;-7.72,-8.75,;-8.82,-9.8,;-8.28,-11.21,;-6.99,-11.85,;-5.93,-10.81,;-6.49,-9.52,;-6.67,-11.11,;1.87,-14.64,;1.85,-16.18,;3.41,-14.64,;4.18,-13.3,;5.72,-13.3,;6.49,-11.95,;8.03,-11.97,;8.8,-10.64,;8.01,-9.29,;8.77,-7.96,;6.47,-9.31,;5.7,-10.64,;4.18,-15.97,;5.72,-15.97,;6.49,-17.3,;6.49,-14.63,)|
Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21-,22+,23-,24+,30?,33?
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21n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards cholecystokinin type B receptor in rat cortex by displacement of [3H]-pBC264 radioligand


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50045796
PNG
(CHEMBL99939 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(1.85,-13.1,;.54,-13.87,;-.79,-14.65,;-.79,-16.19,;.12,-17.43,;-.77,-18.69,;-2.24,-18.22,;-3.59,-18.99,;-4.92,-18.22,;-4.92,-16.68,;-3.59,-15.9,;-2.26,-16.67,;-.97,-13.47,;-2.3,-12.7,;-3.4,-13.77,;-2.7,-11.21,;-4.18,-10.81,;-5.51,-10.01,;-6.08,-8.59,;-7.72,-8.75,;-8.82,-9.8,;-8.28,-11.21,;-6.99,-11.85,;-5.93,-10.81,;-6.49,-9.52,;-6.67,-11.11,;1.87,-14.64,;1.85,-16.18,;3.41,-14.64,;4.18,-13.3,;5.72,-13.3,;6.49,-11.95,;8.03,-11.97,;8.8,-10.64,;8.01,-9.29,;8.77,-7.96,;6.47,-9.31,;5.7,-10.64,;4.18,-15.97,;5.72,-15.97,;6.49,-17.3,;6.49,-14.63,)|
Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21-,22+,23-,24+,30?,33?
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21n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards CCK-B in mouse brain by displacement of [3H]-pBC264 radioligand


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045798
PNG
(CHEMBL319120 | [1-[2-(2,4-Dichloro-phenyl)-ethylca...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1Cl |wU:21.28,19.20,23.24,wD:17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(16.99,-12.55,;15.66,-13.33,;14.35,-14.1,;14.36,-15.66,;15.27,-16.89,;14.36,-18.15,;12.89,-17.69,;11.55,-18.46,;10.22,-17.69,;10.22,-16.13,;11.55,-15.36,;12.89,-16.13,;14.17,-12.93,;12.84,-12.16,;11.74,-13.24,;12.44,-10.67,;10.95,-10.27,;9.62,-9.47,;9.06,-8.06,;7.43,-8.21,;6.31,-9.26,;6.87,-10.67,;8.14,-11.32,;9.22,-10.27,;8.64,-8.98,;8.48,-10.58,;17.01,-14.1,;16.99,-15.63,;18.55,-14.09,;19.3,-12.76,;20.84,-12.76,;21.61,-11.42,;20.84,-10.1,;21.61,-8.77,;23.15,-8.76,;23.92,-7.43,;23.92,-10.1,;23.15,-11.43,;23.92,-12.76,)|
Show InChI InChI=1S/C31H35Cl2N3O3/c1-31(16-23-17-35-27-5-3-2-4-25(23)27,29(37)34-9-8-20-6-7-24(32)15-26(20)33)36-30(38)39-28-21-11-18-10-19(13-21)14-22(28)12-18/h2-7,15,17-19,21-22,28,35H,8-14,16H2,1H3,(H,34,37)(H,36,38)/t18-,19+,21-,22+,28?,31?
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27n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50045805
PNG
(CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)|
Show InChI InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33?
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28n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards cholecystokinin type B receptor in rat pancreas by displacement of [3H]-pCCK-8 radioligand


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046123
PNG
(CHEMBL3351062 | CHEMBL47698 | N-(1-{[1-tert-Butoxy...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C40H51N5O7/c1-7-8-19-31(38(50)45(6)34(39(51)52-40(2,3)4)22-27-24-42-30-20-12-11-18-29(27)30)43-37(49)33(23-35(46)47)44-36(48)32(41-5)21-26-16-13-15-25-14-9-10-17-28(25)26/h9-18,20,24,31-34,41-42H,7-8,19,21-23H2,1-6H3,(H,43,49)(H,44,48)(H,46,47)/t31?,32-,33-,34-/m1/s1
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36n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045810
PNG
(3-{[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(O)=O)CCc1ccccc1 |wU:23.26,wD:21.23,19.27,17.29,TLB:24:19:25:16.23.22,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(12.3,-9.53,;10.97,-10.3,;9.66,-11.08,;9.67,-12.62,;10.58,-13.86,;9.67,-15.12,;8.2,-14.65,;6.86,-15.42,;5.53,-14.65,;5.53,-13.11,;6.86,-12.33,;8.2,-13.1,;9.48,-9.9,;8.14,-9.13,;7.05,-10.2,;7.75,-7.64,;6.26,-7.24,;4.93,-6.44,;4.37,-5.02,;2.74,-5.18,;1.62,-6.23,;2.18,-7.64,;3.45,-8.28,;4.51,-7.24,;3.95,-5.95,;3.79,-7.54,;12.32,-11.07,;12.3,-12.61,;13.86,-11.07,;14.63,-12.4,;16.17,-12.4,;16.94,-13.73,;18.48,-13.73,;16.17,-15.06,;14.61,-9.73,;16.15,-9.73,;16.92,-8.38,;16.15,-7.07,;16.92,-5.74,;18.46,-5.72,;19.23,-7.07,;18.46,-8.4,)|
Show InChI InChI=1S/C34H41N3O5/c1-34(20-27-21-35-29-10-6-5-9-28(27)29,32(40)37(14-12-30(38)39)13-11-22-7-3-2-4-8-22)36-33(41)42-31-25-16-23-15-24(18-25)19-26(31)17-23/h2-10,21,23-26,31,35H,11-20H2,1H3,(H,36,41)(H,38,39)/t23-,24+,25-,26+,31?,34?
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36n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045816
PNG
(CHEMBL319880 | {[2-(Adamantan-2-yloxycarbonylamino...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:17.19,wD:21.28,19.20,23.26,TLB:25:21:24:16.17.18,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(25.85,-.15,;24.53,-.92,;23.2,-1.7,;23.22,-3.24,;24.13,-4.48,;23.22,-5.74,;21.75,-5.27,;20.4,-6.04,;19.07,-5.27,;19.07,-3.73,;20.4,-2.95,;21.75,-3.72,;23.03,-.52,;21.68,.25,;20.6,-.82,;21.3,1.74,;19.81,2.14,;18.07,2.14,;16.99,1.1,;15.73,1.74,;15.17,3.15,;16.29,4.2,;17.92,4.36,;18.49,2.94,;17.34,1.84,;17.51,3.43,;25.86,-1.69,;25.85,-3.23,;27.4,-1.69,;28.17,-.35,;29.71,-.35,;30.48,1,;29.7,2.31,;30.46,3.66,;32.01,3.66,;32.77,4.99,;32.79,2.31,;32.02,.98,;32.78,-.35,;28.17,-3.02,;29.71,-3.02,;30.48,-4.35,;30.48,-1.68,)|
Show InChI InChI=1S/C33H37Cl2N3O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,37-32(42)43-30-22-11-19-10-20(13-22)14-23(30)12-19)31(41)38(18-29(39)40)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,37,42)(H,39,40)/t19-,20+,22-,23+,30?,33?
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37n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046118
PNG
(CHEMBL3351057 | CHEMBL46843 | N-{[1-tert-Butoxycar...)
Show SMILES CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C42H47N5O7/c1-42(2,3)54-41(53)34(22-29-25-43-32-21-12-11-20-31(29)32)45-40(52)37(27-15-7-6-8-16-27)46-38(50)33(24-36(48)49)44-39(51)35(47(4)5)23-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,43H,22-24H2,1-5H3,(H,44,51)(H,45,52)(H,46,50)(H,48,49)/t33-,34-,35-,37?/m1/s1
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39n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045803
PNG
(CHEMBL433407 | [1-[2-(4-Chloro-phenyl)-ethylcarbam...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(14.26,-12.21,;12.93,-13,;11.6,-13.77,;11.6,-15.31,;12.51,-16.55,;11.62,-17.81,;10.15,-17.34,;8.8,-18.11,;7.47,-17.34,;7.47,-15.8,;8.8,-15.03,;10.13,-15.8,;11.43,-12.58,;10.09,-11.81,;8.99,-12.9,;9.69,-10.32,;8.21,-9.92,;6.46,-9.94,;5.4,-10.97,;4.11,-10.32,;3.57,-8.92,;4.67,-7.87,;6.31,-7.71,;6.88,-9.13,;5.72,-10.23,;5.9,-8.64,;14.26,-13.75,;14.26,-15.29,;15.8,-13.75,;16.57,-12.42,;18.11,-12.42,;18.88,-11.08,;18.09,-9.76,;18.86,-8.43,;20.4,-8.41,;21.17,-7.08,;21.19,-9.76,;20.42,-11.09,)|
Show InChI InChI=1S/C31H36ClN3O3/c1-31(17-24-18-34-27-5-3-2-4-26(24)27,29(36)33-11-10-19-6-8-25(32)9-7-19)35-30(37)38-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,34H,10-17H2,1H3,(H,33,36)(H,35,37)/t20-,21+,22-,23+,28?,31?
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39n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50045800
PNG
(CHEMBL317999 | {[2-(Adamantan-2-yloxycarbonylamino...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(6.49,-7.36,;5.16,-8.14,;3.83,-8.91,;3.83,-10.46,;4.74,-11.7,;3.85,-12.96,;2.38,-12.49,;1.03,-13.26,;-.3,-12.49,;-.3,-10.94,;1.03,-10.17,;2.36,-10.94,;3.81,-7.37,;2.48,-6.6,;1.38,-7.68,;2.08,-5.11,;.59,-4.71,;-.74,-3.9,;-1.3,-2.5,;-2.93,-2.64,;-4.05,-3.69,;-3.49,-5.11,;-2.22,-5.75,;-1.14,-4.72,;-1.72,-3.41,;-1.88,-5.02,;6.49,-8.9,;6.49,-10.44,;8.03,-8.9,;8.8,-7.57,;10.34,-7.57,;11.11,-6.23,;10.32,-4.91,;11.09,-3.58,;12.63,-3.57,;13.42,-4.91,;12.65,-6.24,;8.8,-10.23,;10.34,-10.23,;11.11,-11.56,;11.11,-8.9,)|
Show InChI InChI=1S/C33H39N3O5/c1-33(18-26-19-34-28-10-6-5-9-27(26)28,31(39)36(20-29(37)38)12-11-21-7-3-2-4-8-21)35-32(40)41-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19,22-25,30,34H,11-18,20H2,1H3,(H,35,40)(H,37,38)/t22-,23+,24-,25+,30?,33?
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40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards cholecystokinin type B receptor in rat cortex by displacement of [3H]-pBC264 radioligand


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045806
PNG
(CHEMBL320399 | {[2-(Adamantan-2-yloxycarbonylamino...)
Show SMILES CC(Cc1ccc(Br)cc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:19.20,17.24,15.16,wD:21.23,TLB:13:14:16:19.23.18,THB:20:21:16:19.23.18,20:19:14.21.22:16,(17.3,-9.45,;15.98,-10.23,;14.64,-11,;14.66,-12.56,;15.99,-13.31,;16,-14.85,;14.67,-15.63,;14.67,-17.17,;13.33,-14.87,;13.31,-13.34,;14.47,-9.82,;13.12,-9.05,;12.04,-10.13,;12.74,-7.56,;11.25,-7.15,;9.5,-7.16,;8.43,-8.19,;7.15,-7.56,;6.6,-6.15,;7.72,-5.1,;9.35,-4.94,;9.92,-6.36,;8.77,-7.47,;8.94,-5.87,;17.31,-11,;17.3,-12.53,;18.85,-10.99,;19.63,-9.66,;21.17,-9.66,;21.94,-8.31,;23.48,-8.31,;24.25,-6.99,;23.48,-5.64,;21.92,-5.66,;21.16,-6.99,;19.63,-12.33,;21.17,-12.33,;21.94,-13.66,;21.94,-10.99,)|
Show InChI InChI=1S/C31H37BrN2O5/c1-31(18-21-7-9-26(32)10-8-21,29(37)34(19-27(35)36)12-11-20-5-3-2-4-6-20)33-30(38)39-28-24-14-22-13-23(16-24)17-25(28)15-22/h2-10,22-25,28H,11-19H2,1H3,(H,33,38)(H,35,36)/t22-,23+,24-,25+,28?,31?
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50n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045808
PNG
(CHEMBL432389 | [1-[2-(4-Bromo-phenyl)-ethylcarbamo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Br)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(13,-12.04,;11.67,-12.82,;10.34,-13.59,;10.34,-15.14,;11.25,-16.38,;10.36,-17.64,;8.89,-17.17,;7.54,-17.94,;6.21,-17.17,;6.21,-15.62,;7.54,-14.85,;8.87,-15.62,;10.17,-12.42,;8.83,-11.65,;7.73,-12.72,;8.43,-10.16,;6.95,-9.76,;5.2,-9.76,;4.14,-10.8,;2.85,-10.16,;2.31,-8.75,;3.41,-7.7,;5.05,-7.54,;5.62,-8.96,;4.46,-10.06,;4.64,-8.47,;13,-13.59,;13,-15.12,;14.54,-13.58,;15.31,-12.25,;16.85,-12.25,;17.62,-10.9,;16.83,-9.59,;17.6,-8.26,;19.14,-8.24,;19.91,-6.91,;19.93,-9.59,;19.16,-10.92,)|
Show InChI InChI=1S/C31H36BrN3O3/c1-31(17-24-18-34-27-5-3-2-4-26(24)27,29(36)33-11-10-19-6-8-25(32)9-7-19)35-30(37)38-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,34H,10-17H2,1H3,(H,33,36)(H,35,37)/t20-,21+,22-,23+,28?,31?
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51n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50046118
PNG
(CHEMBL3351057 | CHEMBL46843 | N-{[1-tert-Butoxycar...)
Show SMILES CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C42H47N5O7/c1-42(2,3)54-41(53)34(22-29-25-43-32-21-12-11-20-31(29)32)45-40(52)37(27-15-7-6-8-16-27)46-38(50)33(24-36(48)49)44-39(51)35(47(4)5)23-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,43H,22-24H2,1-5H3,(H,44,51)(H,45,52)(H,46,50)(H,48,49)/t33-,34-,35-,37?/m1/s1
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51n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity of compound on binding of [3H]pCCK-8 to the cholecystokinin type B receptor in rat brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046113
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-(1-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H49N5O7/c1-6-7-18-31(37(49)44(5)33(38(50)51-39(2,3)4)21-26-23-41-30-19-11-10-17-28(26)30)42-36(48)32(22-34(45)46)43-35(47)29(40)20-25-15-12-14-24-13-8-9-16-27(24)25/h8-17,19,23,29,31-33,41H,6-7,18,20-22,40H2,1-5H3,(H,42,48)(H,43,47)(H,45,46)/t29-,31?,32-,33+/m1/s1
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68n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50045802
PNG
(CHEMBL99252 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1ccc2ccccc2c1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:22.24,20.28,18.20,wD:24.25,TLB:16:17:19:22.26.21,THB:23:24:19:22.26.21,23:22:19:17.24.25,(14.77,-13.49,;13.46,-14.28,;12.13,-15.05,;12.13,-16.6,;13.47,-17.34,;13.49,-18.89,;12.15,-19.67,;12.16,-21.2,;10.84,-21.99,;9.49,-21.22,;9.49,-19.68,;10.82,-18.91,;10.8,-17.37,;11.96,-13.86,;10.62,-13.09,;9.52,-14.18,;10.22,-11.6,;8.74,-11.2,;6.99,-11.22,;5.92,-12.25,;4.63,-11.6,;4.09,-10.2,;5.19,-9.14,;6.83,-9,;7.41,-10.41,;6.25,-11.5,;6.43,-9.91,;14.8,-15.03,;14.77,-16.57,;16.33,-15.03,;17.1,-13.7,;18.65,-13.7,;19.42,-12.36,;18.63,-11.04,;19.4,-9.7,;20.94,-9.7,;21.73,-11.04,;20.96,-12.37,;17.11,-16.36,;18.65,-16.36,;19.42,-17.7,;19.42,-15.03,)|
Show InChI InChI=1S/C35H40N2O5/c1-35(21-24-11-12-27-9-5-6-10-28(27)16-24,33(40)37(22-31(38)39)14-13-23-7-3-2-4-8-23)36-34(41)42-32-29-17-25-15-26(19-29)20-30(32)18-25/h2-12,16,25-26,29-30,32H,13-15,17-22H2,1H3,(H,36,41)(H,38,39)/t25-,26+,29-,30+,32?,35?
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70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046116
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-{1-...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12
Show InChI InChI=1S/C41H45N5O7/c1-41(2,3)53-40(52)35(22-28-24-43-32-19-10-9-18-30(28)32)46-38(50)33(20-25-12-5-4-6-13-25)45-39(51)34(23-36(47)48)44-37(49)31(42)21-27-16-11-15-26-14-7-8-17-29(26)27/h4-19,24,31,33-35,43H,20-23,42H2,1-3H3,(H,44,49)(H,45,51)(H,46,50)(H,47,48)/t31-,33-,34-,35-/m1/s1
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71n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50045800
PNG
(CHEMBL317999 | {[2-(Adamantan-2-yloxycarbonylamino...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(6.49,-7.36,;5.16,-8.14,;3.83,-8.91,;3.83,-10.46,;4.74,-11.7,;3.85,-12.96,;2.38,-12.49,;1.03,-13.26,;-.3,-12.49,;-.3,-10.94,;1.03,-10.17,;2.36,-10.94,;3.81,-7.37,;2.48,-6.6,;1.38,-7.68,;2.08,-5.11,;.59,-4.71,;-.74,-3.9,;-1.3,-2.5,;-2.93,-2.64,;-4.05,-3.69,;-3.49,-5.11,;-2.22,-5.75,;-1.14,-4.72,;-1.72,-3.41,;-1.88,-5.02,;6.49,-8.9,;6.49,-10.44,;8.03,-8.9,;8.8,-7.57,;10.34,-7.57,;11.11,-6.23,;10.32,-4.91,;11.09,-3.58,;12.63,-3.57,;13.42,-4.91,;12.65,-6.24,;8.8,-10.23,;10.34,-10.23,;11.11,-11.56,;11.11,-8.9,)|
Show InChI InChI=1S/C33H39N3O5/c1-33(18-26-19-34-28-10-6-5-9-27(26)28,31(39)36(20-29(37)38)12-11-21-7-3-2-4-8-21)35-32(40)41-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19,22-25,30,34H,11-18,20H2,1H3,(H,35,40)(H,37,38)/t22-,23+,24-,25+,30?,33?
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73n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards cholecystokinin type B receptor in mouse brain by displacement of [3H]-pBC264 radioligand


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046120
PNG
(CHEMBL296548 | CHEMBL3351056 | N-{[1-tert-Butoxyca...)
Show SMILES CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C42H53N5O7/c1-42(2,3)54-41(53)34(22-29-25-43-32-21-12-11-20-31(29)32)45-40(52)37(27-15-7-6-8-16-27)46-38(50)33(24-36(48)49)44-39(51)35(47(4)5)23-28-18-13-17-26-14-9-10-19-30(26)28/h9-14,17-21,25,27,33-35,37,43H,6-8,15-16,22-24H2,1-5H3,(H,44,51)(H,45,52)(H,46,50)(H,48,49)/t33-,34-,35-,37?/m1/s1
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74n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045813
PNG
(CHEMBL328852 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-(4...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(cc1)[N+]([O-])=O |wU:17.29,wD:21.28,19.20,23.26,TLB:25:21:24:16.17.18,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(14.54,-5.88,;13.21,-6.66,;11.91,-7.44,;11.91,-8.98,;12.82,-10.22,;11.91,-11.48,;10.44,-11.01,;9.11,-11.78,;7.78,-11.01,;7.78,-9.47,;9.11,-8.69,;10.44,-9.46,;11.72,-6.25,;10.39,-5.48,;9.29,-6.56,;9.99,-3.99,;8.5,-3.59,;6.75,-3.6,;5.7,-4.64,;4.42,-3.99,;3.86,-2.59,;4.98,-1.54,;6.61,-1.38,;7.17,-2.8,;6.03,-3.9,;6.19,-2.31,;14.57,-7.42,;14.54,-8.96,;16.11,-7.42,;16.85,-6.09,;18.39,-6.09,;19.16,-4.74,;20.7,-4.76,;21.47,-3.43,;20.7,-2.08,;19.16,-2.1,;18.39,-3.43,;21.47,-.75,;22.71,-1.5,;21.47,.7,)|
Show InChI InChI=1S/C31H36N4O5/c1-31(17-24-18-33-27-5-3-2-4-26(24)27,29(36)32-11-10-19-6-8-25(9-7-19)35(38)39)34-30(37)40-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,33H,10-17H2,1H3,(H,32,36)(H,34,37)/t20-,21+,22-,23+,28?,31?
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79n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046131
PNG
(CHEMBL297190 | CHEMBL3351059 | N-(1-{[1-tert-Butox...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C41H53N5O7/c1-8-9-20-32(39(51)46(7)35(40(52)53-41(2,3)4)23-28-25-42-31-21-13-12-19-30(28)31)43-37(49)33(24-36(47)48)44-38(50)34(45(5)6)22-27-17-14-16-26-15-10-11-18-29(26)27/h10-19,21,25,32-35,42H,8-9,20,22-24H2,1-7H3,(H,43,49)(H,44,50)(H,47,48)/t32?,33-,34-,35-/m1/s1
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81n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50005823
PNG
(CHEMBL291033 | [2-(1H-Indol-3-yl)-1-methyl-1-phene...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |wU:21.23,23.26,17.19,wD:19.27,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,20:19:16:21.22.25,(13.64,-8.63,;12.89,-7.3,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;8.24,-11.43,;7.21,-12.7,;5.8,-12.13,;4.31,-12.55,;5.51,-11.27,;5.48,-9.79,;6.85,-9.3,;5.8,-10.55,;6.83,-11.77,;14.42,-7.18,;15.09,-5.8,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,)|
Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21-,22+,23-,24+,28?,31?
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87n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045817
PNG
(CHEMBL319085 | {[2-(Adamantan-2-yloxycarbonylamino...)
Show SMILES CC(Cc1ccccc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:18.19,16.23,14.15,wD:20.22,TLB:12:13:15:18.22.17,THB:19:20:15:18.22.17,19:18:13.20.21:15,(13.77,-12.89,;12.44,-13.67,;11.13,-14.44,;11.14,-15.99,;12.47,-16.74,;12.48,-18.28,;11.14,-19.06,;9.81,-18.3,;9.8,-16.76,;10.95,-13.26,;9.62,-12.49,;8.52,-13.58,;9.22,-11,;7.73,-10.6,;6,-10.62,;4.92,-11.65,;3.65,-11,;3.09,-9.6,;4.21,-8.55,;5.84,-8.4,;6.4,-9.81,;5.26,-10.9,;5.42,-9.32,;13.79,-14.43,;13.77,-15.97,;15.33,-14.43,;16.08,-13.1,;17.62,-13.1,;18.39,-11.76,;19.93,-11.77,;20.7,-10.44,;19.93,-9.1,;18.39,-9.11,;17.62,-10.44,;16.1,-15.76,;17.64,-15.76,;18.41,-17.09,;18.41,-14.43,)|
Show InChI InChI=1S/C31H38N2O5/c1-31(19-22-10-6-3-7-11-22,29(36)33(20-27(34)35)13-12-21-8-4-2-5-9-21)32-30(37)38-28-25-15-23-14-24(17-25)18-26(28)16-23/h2-11,23-26,28H,12-20H2,1H3,(H,32,37)(H,34,35)/t23-,24+,25-,26+,28?,31?
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87n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045818
PNG
(CHEMBL95115 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-nap...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1cccc2ccccc12 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(9.96,-9.54,;8.63,-10.31,;7.31,-11.09,;7.32,-12.64,;8.23,-13.87,;7.32,-15.13,;5.85,-14.67,;4.51,-15.44,;3.18,-14.67,;3.18,-13.13,;4.51,-12.34,;5.85,-13.11,;7.13,-9.91,;5.8,-9.14,;4.7,-10.21,;5.4,-7.65,;3.91,-7.25,;2.17,-7.25,;1.1,-8.29,;-.18,-7.65,;-.74,-6.24,;.38,-5.19,;2.02,-5.03,;2.58,-6.45,;1.43,-7.55,;1.6,-5.96,;9.97,-11.08,;9.96,-12.62,;11.51,-11.08,;12.27,-9.74,;13.81,-9.74,;14.58,-8.39,;13.81,-7.08,;14.57,-5.75,;16.12,-5.73,;16.89,-7.08,;18.41,-7.08,;19.18,-8.39,;18.41,-9.72,;16.89,-9.72,;16.12,-8.39,)|
Show InChI InChI=1S/C35H39N3O3/c1-35(20-28-21-37-31-12-5-4-11-30(28)31,33(39)36-14-13-25-9-6-8-24-7-2-3-10-29(24)25)38-34(40)41-32-26-16-22-15-23(18-26)19-27(32)17-22/h2-12,21-23,26-27,32,37H,13-20H2,1H3,(H,36,39)(H,38,40)/t22-,23+,26-,27+,32?,35?
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89n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045804
PNG
(CHEMBL329088 | {2-(1H-Indol-3-yl)-1-[2-(4-methoxy-...)
Show SMILES COc1ccc(CCNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)OC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)cc1 |wU:32.34,30.38,28.30,wD:34.37,TLB:26:27:29:32.36.31,THB:33:34:29:32.36.31,33:32:27.34.35:29,(21.77,-7.66,;20.21,-7.66,;19.46,-9.01,;20.24,-10.34,;19.47,-11.67,;17.93,-11.67,;17.16,-13,;15.62,-13,;14.85,-14.33,;13.31,-14.33,;13.31,-15.87,;11.98,-13.58,;13.31,-12.79,;10.65,-14.35,;10.66,-15.9,;11.57,-17.13,;10.67,-18.39,;9.2,-17.93,;7.85,-18.7,;6.52,-17.93,;6.52,-16.38,;7.85,-15.61,;9.19,-16.38,;10.48,-13.17,;9.15,-12.4,;8.05,-13.49,;8.75,-10.9,;7.26,-10.51,;5.51,-10.52,;4.44,-11.56,;3.17,-10.9,;2.62,-9.5,;3.73,-8.45,;5.37,-8.29,;5.93,-9.71,;4.78,-10.81,;4.95,-9.22,;17.15,-10.34,;17.9,-9.01,)|
Show InChI InChI=1S/C32H39N3O4/c1-32(18-25-19-34-28-6-4-3-5-27(25)28,30(36)33-12-11-20-7-9-26(38-2)10-8-20)35-31(37)39-29-23-14-21-13-22(16-23)17-24(29)15-21/h3-10,19,21-24,29,34H,11-18H2,1-2H3,(H,33,36)(H,35,37)/t21-,22+,23-,24+,29?,32?
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115n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045815
PNG
(CHEMBL98516 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1cccc2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:22.24,20.28,18.20,wD:24.27,TLB:16:17:19:22.26.21,THB:23:24:19:22.26.21,23:22:19:17.24.25,(13.85,-9.4,;12.53,-10.18,;11.2,-10.95,;11.21,-12.51,;12.54,-13.27,;12.56,-14.8,;11.22,-15.58,;9.87,-14.82,;8.57,-15.6,;7.23,-14.85,;7.21,-13.3,;8.54,-12.53,;9.87,-13.29,;11.02,-9.78,;9.69,-9.01,;8.59,-10.09,;9.29,-7.51,;7.79,-7.12,;6.06,-7.12,;4.98,-8.16,;3.7,-7.51,;3.14,-6.1,;4.26,-5.05,;5.9,-4.89,;6.46,-6.31,;5.32,-7.42,;5.48,-5.82,;13.87,-10.95,;13.85,-12.49,;15.41,-10.94,;16.18,-9.61,;17.72,-9.61,;18.49,-8.26,;17.71,-6.94,;18.48,-5.61,;20.02,-5.6,;20.81,-6.94,;20.02,-8.28,;16.19,-12.28,;17.73,-12.28,;18.5,-13.62,;18.49,-10.94,)|
Show InChI InChI=1S/C35H40N2O5/c1-35(21-27-12-7-11-26-10-5-6-13-30(26)27,33(40)37(22-31(38)39)15-14-23-8-3-2-4-9-23)36-34(41)42-32-28-17-24-16-25(19-28)20-29(32)18-24/h2-13,24-25,28-29,32H,14-22H2,1H3,(H,36,41)(H,38,39)/t24-,25+,28-,29+,32?,35?
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134n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046130
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-({[...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C1CCCCC1
Show InChI InChI=1S/C41H51N5O7/c1-41(2,3)53-40(52)34(22-28-24-43-32-20-11-10-19-30(28)32)46(4)39(51)36(26-14-6-5-7-15-26)45-38(50)33(23-35(47)48)44-37(49)31(42)21-27-17-12-16-25-13-8-9-18-29(25)27/h8-13,16-20,24,26,31,33-34,36,43H,5-7,14-15,21-23,42H2,1-4H3,(H,44,49)(H,45,50)(H,47,48)/t31-,33-,34-,36?/m1/s1
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140n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046126
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-b...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H45N5O7/c1-5-6-15-26(37-32(44)27(19-29(40)41)38-30(42)24(35)17-21-12-8-7-9-13-21)31(43)39-28(33(45)46-34(2,3)4)18-22-20-36-25-16-11-10-14-23(22)25/h7-14,16,20,24,26-28,36H,5-6,15,17-19,35H2,1-4H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)/t24-,26-,27-,28-/m0/s1
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160n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046112
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-({[...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C41H45N5O7/c1-41(2,3)53-40(52)34(22-28-24-43-32-20-11-10-19-30(28)32)46(4)39(51)36(26-14-6-5-7-15-26)45-38(50)33(23-35(47)48)44-37(49)31(42)21-27-17-12-16-25-13-8-9-18-29(25)27/h5-20,24,31,33-34,36,43H,21-23,42H2,1-4H3,(H,44,49)(H,45,50)(H,47,48)/t31-,33-,34-,36?/m1/s1
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170n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50045814
PNG
(CHEMBL95793 | [2-(1H-Indol-3-yl)-1-methyl-1-(3-phe...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCCc1ccccc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(10.65,-12.14,;9.32,-12.93,;7.99,-13.7,;8,-15.24,;8.91,-16.48,;8.01,-17.74,;6.54,-17.27,;5.19,-18.04,;3.86,-17.27,;3.86,-15.73,;5.19,-14.96,;6.53,-15.73,;7.82,-12.51,;6.49,-11.74,;5.39,-12.83,;6.09,-10.25,;4.6,-9.85,;2.85,-9.87,;1.78,-10.9,;.51,-10.25,;-.04,-8.85,;1.07,-7.8,;2.71,-7.65,;3.27,-9.06,;2.12,-10.16,;2.29,-8.57,;10.65,-13.68,;10.65,-15.22,;12.19,-13.68,;12.96,-12.35,;14.5,-12.35,;15.27,-11.01,;16.81,-11.01,;17.55,-9.68,;19.09,-9.67,;19.86,-11.01,;19.11,-12.35,;17.57,-12.35,)|
Show InChI InChI=1S/C32H39N3O3/c1-32(19-26-20-34-28-12-6-5-11-27(26)28,30(36)33-13-7-10-21-8-3-2-4-9-21)35-31(37)38-29-24-15-22-14-23(17-24)18-25(29)16-22/h2-6,8-9,11-12,20,22-25,29,34H,7,10,13-19H2,1H3,(H,33,36)(H,35,37)/t22-,23+,24-,25+,29?,32?
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182n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
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