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PubMed code 1433225

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(RAT)
BDBM50003666
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CN(C(Cc1ccccc1)C(N)=O)C(=O)C(CC(O)=O)NC(=O)C(CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33?,34-,35?,36?/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin type A receptor from rat pancreas binding assay


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003669
PNG
(Ac-Tyr(SO3H)-Met-Gly-Trp-Met-R-Dtc-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H63N9O11S4/c1-29(59)53-39(24-31-15-17-33(18-16-31)73(67,68)69)45(63)55-36(19-21-70-4)44(62)52-27-41(60)54-40(25-32-26-51-35-14-10-9-13-34(32)35)46(64)56-37(20-22-71-5)48(66)58-28-72-49(2,3)42(58)47(65)57-38(43(50)61)23-30-11-7-6-8-12-30/h6-18,26,36-40,42,51H,19-25,27-28H2,1-5H3,(H2,50,61)(H,52,62)(H,53,59)(H,54,60)(H,55,63)(H,56,64)(H,57,65)(H,67,68,69)/t36-,37-,38-,39-,40-,42-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003670
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003667
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-carbamoyl-1-(1-ca...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N10O12S3/c1-27(58)52-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)54-34(17-19-70-2)43(62)51-26-41(60)53-38(23-30-25-50-33-12-8-7-11-32(30)33)46(65)55-35(18-20-71-3)44(63)57-39(24-40(48)59)47(66)56-36(42(49)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,48,59)(H2,49,61)(H,51,62)(H,52,58)(H,53,60)(H,54,64)(H,55,65)(H,56,66)(H,57,63)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003664
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H61N9O11S3/c1-28(57)51-38(24-30-15-17-32(18-16-30)70(65,66)67)43(61)53-35(19-21-68-4)42(60)50-27-40(58)52-39(25-31-26-49-34-14-10-9-13-33(31)34)44(62)54-36(20-22-69-5)45(63)56-47(2,3)46(64)55-37(41(48)59)23-29-11-7-6-8-12-29/h6-18,26,35-39,49H,19-25,27H2,1-5H3,(H2,48,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)(H,55,64)(H,56,63)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003670
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003665
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39+/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003662
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H61N9O11S3/c1-29(58)52-39(25-31-15-17-33(18-16-31)71(66,67)68)45(62)54-36(19-22-69-2)44(61)51-28-42(59)53-40(26-32-27-50-35-13-8-7-12-34(32)35)46(63)55-37(20-23-70-3)48(65)57-21-9-14-41(57)47(64)56-38(43(49)60)24-30-10-5-4-6-11-30/h4-8,10-13,15-18,27,36-41,50H,9,14,19-26,28H2,1-3H3,(H2,49,60)(H,51,61)(H,52,58)(H,53,59)(H,54,62)(H,55,63)(H,56,64)(H,66,67,68)/t36-,37-,38-,39-,40-,41-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003665
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003668
PNG
(CHEMBL341403 | [1-[1-[4-(1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1ccccc1NC(=O)NCCCCC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CSC(C)(C)C1C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H58N8O7S/c1-28-16-10-12-20-32(28)51-42(58)47-23-15-14-22-34(49-39(55)36(52-43(59)60-44(2,3)4)25-30-26-48-33-21-13-11-19-31(30)33)41(57)53-27-61-45(5,6)37(53)40(56)50-35(38(46)54)24-29-17-8-7-9-18-29/h7-13,16-21,26,34-37,48H,14-15,22-25,27H2,1-6H3,(H2,46,54)(H,49,55)(H,50,56)(H,52,59)(H2,47,51,58)/t34?,35?,36-,37?/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin type A receptor from rat pancreas binding assay


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003664
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H61N9O11S3/c1-28(57)51-38(24-30-15-17-32(18-16-30)70(65,66)67)43(61)53-35(19-21-68-4)42(60)50-27-40(58)52-39(25-31-26-49-34-14-10-9-13-33(31)34)44(62)54-36(20-22-69-5)45(63)56-47(2,3)46(64)55-37(41(48)59)23-29-11-7-6-8-12-29/h6-18,26,35-39,49H,19-25,27H2,1-5H3,(H2,48,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)(H,55,64)(H,56,63)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003667
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-carbamoyl-1-(1-ca...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N10O12S3/c1-27(58)52-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)54-34(17-19-70-2)43(62)51-26-41(60)53-38(23-30-25-50-33-12-8-7-11-32(30)33)46(65)55-35(18-20-71-3)44(63)57-39(24-40(48)59)47(66)56-36(42(49)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,48,59)(H2,49,61)(H,51,62)(H,52,58)(H,53,60)(H,54,64)(H,55,65)(H,56,66)(H,57,63)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003663
PNG
(Ac-Tyr(SO3H)-Met-Gly-Trp-Met-S-Dtc-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H63N9O11S4/c1-29(59)53-39(24-31-15-17-33(18-16-31)73(67,68)69)45(63)55-36(19-21-70-4)44(62)52-27-41(60)54-40(25-32-26-51-35-14-10-9-13-34(32)35)46(64)56-37(20-22-71-5)48(66)58-28-72-49(2,3)42(58)47(65)57-38(43(50)61)23-30-11-7-6-8-12-30/h6-18,26,36-40,42,51H,19-25,27-28H2,1-5H3,(H2,50,61)(H,52,62)(H,53,59)(H,54,60)(H,55,63)(H,56,64)(H,57,65)(H,67,68,69)/t36-,37-,38-,39-,40-,42+/m0/s1
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n/an/a 314n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50003666
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CN(C(Cc1ccccc1)C(N)=O)C(=O)C(CC(O)=O)NC(=O)C(CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33?,34-,35?,36?/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin type A receptor from bovine striatal binding assay


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003669
PNG
(Ac-Tyr(SO3H)-Met-Gly-Trp-Met-R-Dtc-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H63N9O11S4/c1-29(59)53-39(24-31-15-17-33(18-16-31)73(67,68)69)45(63)55-36(19-21-70-4)44(62)52-27-41(60)54-40(25-32-26-51-35-14-10-9-13-34(32)35)46(64)56-37(20-22-71-5)48(66)58-28-72-49(2,3)42(58)47(65)57-38(43(50)61)23-30-11-7-6-8-12-30/h6-18,26,36-40,42,51H,19-25,27-28H2,1-5H3,(H2,50,61)(H,52,62)(H,53,59)(H,54,60)(H,55,63)(H,56,64)(H,57,65)(H,67,68,69)/t36-,37-,38-,39-,40-,42-/m0/s1
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n/an/a 2.31E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003662
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H61N9O11S3/c1-29(58)52-39(25-31-15-17-33(18-16-31)71(66,67)68)45(62)54-36(19-22-69-2)44(61)51-28-42(59)53-40(26-32-27-50-35-13-8-7-12-34(32)35)46(63)55-37(20-23-70-3)48(65)57-21-9-14-41(57)47(64)56-38(43(49)60)24-30-10-5-4-6-11-30/h4-8,10-13,15-18,27,36-41,50H,9,14,19-26,28H2,1-3H3,(H2,49,60)(H,51,61)(H,52,58)(H,53,59)(H,54,62)(H,55,63)(H,56,64)(H,66,67,68)/t36-,37-,38-,39-,40-,41-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003663
PNG
(Ac-Tyr(SO3H)-Met-Gly-Trp-Met-S-Dtc-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H63N9O11S4/c1-29(59)53-39(24-31-15-17-33(18-16-31)73(67,68)69)45(63)55-36(19-21-70-4)44(62)52-27-41(60)54-40(25-32-26-51-35-14-10-9-13-34(32)35)46(64)56-37(20-22-71-5)48(66)58-28-72-49(2,3)42(58)47(65)57-38(43(50)61)23-30-11-7-6-8-12-30/h6-18,26,36-40,42,51H,19-25,27-28H2,1-5H3,(H2,50,61)(H,52,62)(H,53,59)(H,54,60)(H,55,63)(H,56,64)(H,57,65)(H,67,68,69)/t36-,37-,38-,39-,40-,42+/m0/s1
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n/an/a 6.16E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50003668
PNG
(CHEMBL341403 | [1-[1-[4-(1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1ccccc1NC(=O)NCCCCC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CSC(C)(C)C1C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H58N8O7S/c1-28-16-10-12-20-32(28)51-42(58)47-23-15-14-22-34(49-39(55)36(52-43(59)60-44(2,3)4)25-30-26-48-33-21-13-11-19-31(30)33)41(57)53-27-61-45(5,6)37(53)40(56)50-35(38(46)54)24-29-17-8-7-9-18-29/h7-13,16-21,26,34-37,48H,14-15,22-25,27H2,1-6H3,(H2,46,54)(H,49,55)(H,50,56)(H,52,59)(H2,47,51,58)/t34?,35?,36-,37?/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin type A receptor from bovine striatal binding assay


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%