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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50036125   
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))
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 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))
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))
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


(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
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))
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))
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 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


(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))
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))
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))
BDBM50046117
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-(1-{[1-tert-...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C38H45N5O7/c1-38(2,3)50-37(49)32(21-26-23-40-29-18-12-11-17-27(26)29)43(4)36(48)31(20-25-15-9-6-10-16-25)42-35(47)30(22-33(44)45)41-34(46)28(39)19-24-13-7-5-8-14-24/h5-18,23,28,30-32,40H,19-22,39H2,1-4H3,(H,41,46)(H,42,47)(H,44,45)/t28-,30-,31-,32-/m1/s1
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590n/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))
BDBM50046129
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-(1-...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12
Show InChI InChI=1S/C42H47N5O7/c1-42(2,3)54-41(53)36(23-29-25-44-33-20-11-10-19-31(29)33)47(4)40(52)35(21-26-13-6-5-7-14-26)46-39(51)34(24-37(48)49)45-38(50)32(43)22-28-17-12-16-27-15-8-9-18-30(27)28/h5-20,25,32,34-36,44H,21-24,43H2,1-4H3,(H,45,50)(H,46,51)(H,48,49)/t32-,34-,35-,36-/m1/s1
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770n/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))
BDBM50046122
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-(1-{[1-tert-...)
Show SMILES CN([C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C38H45N5O7/c1-38(2,3)50-37(49)32(21-26-23-40-29-18-12-11-17-27(26)29)43(4)36(48)31(20-25-15-9-6-10-16-25)42-35(47)30(22-33(44)45)41-34(46)28(39)19-24-13-7-5-8-14-24/h5-18,23,28,30-32,40H,19-22,39H2,1-4H3,(H,41,46)(H,42,47)(H,44,45)/t28-,30-,31-,32+/m1/s1
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3.00E+3n/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