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PubMed code 1501220

Compile data set for download or QSAR
Found 52 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


(Homo sapiens (Human))		BDBM50004490
PNG
(CCK7 analogue | CHEMBL412238 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-5-6-15-36(52-41(57)22-19-30-17-20-33(21-18-30)69-70(66,67)68)45(62)51-28-42(58)53-39(25-32-27-50-35-16-11-10-14-34(32)35)48(65)56(4)40(23-29(2)3)47(64)55-38(26-43(59)60)46(63)54-37(44(49)61)24-31-12-8-7-9-13-31/h7-14,16-18,20-21,27,29,36-40,50H,5-6,15,19,22-26,28H2,1-4H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004483
PNG
(CCK7 analogue | CHEMBL269355)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCC)[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H64N8O13S/c1-4-6-16-38(54-42(59)23-20-31-18-21-35(22-19-31)71-72(68,69)70)47(64)53-30-43(60)55-39(27-34-29-52-37-17-11-10-15-36(34)37)50(67)58-25-24-33(12-5-2)45(58)48(65)56-40(28-44(61)62)49(66)57(3)41(46(51)63)26-32-13-8-7-9-14-32/h7-11,13-15,17-19,21-22,29,33,38-41,45,52H,4-6,12,16,20,23-28,30H2,1-3H3,(H2,51,63)(H,53,64)(H,54,59)(H,55,60)(H,56,65)(H,61,62)(H,68,69,70)/t33?,38-,39-,40-,41-,45-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004474
PNG
(CCK7 analogue | CHEMBL316949 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004477
PNG
(CCK7 analogue | CHEMBL269016 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-39(26-32-28-50-35-18-12-11-15-34(32)35)46(63)54-37(17-7-5-2)48(65)56(3)40(27-43(59)60)47(64)55-38(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004480
PNG
(CCK7 analogue | CHEMBL316944)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-5-14-35(45(62)55-39(25-42(58)59)47(64)54-36(43(48)60)23-30-11-7-6-8-12-30)53-46(63)38(24-31-26-49-34-15-10-9-13-33(31)34)52-41(57)27-50-44(61)37(22-28(2)3)51-40(56)21-18-29-16-19-32(20-17-29)68-69(65,66)67/h6-13,15-17,19-20,26,28,35-39,49H,4-5,14,18,21-25,27H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004480
PNG
(CCK7 analogue | CHEMBL316944)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-5-14-35(45(62)55-39(25-42(58)59)47(64)54-36(43(48)60)23-30-11-7-6-8-12-30)53-46(63)38(24-31-26-49-34-15-10-9-13-33(31)34)52-41(57)27-50-44(61)37(22-28(2)3)51-40(56)21-18-29-16-19-32(20-17-29)68-69(65,66)67/h6-13,15-17,19-20,26,28,35-39,49H,4-5,14,18,21-25,27H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.670n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004474
PNG
(CCK7 analogue | CHEMBL316949 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.770n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50421964
PNG
(CHEMBL2310858)
Show SMILES CCCC1CCN([C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(N)=O)[C@H]1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(O)(=O)=O)cc1
Show InChI InChI=1/C51H64N8O13S/c1-4-11-34-23-25-58(31(2)49(66)56-40(28-45(62)63)51(68)57(3)42(48(52)65)26-33-12-6-5-7-13-33)46(34)47(64)39(27-35-29-53-38-15-9-8-14-37(35)38)55-43(60)30-54-50(67)41-16-10-24-59(41)44(61)22-19-32-17-20-36(21-18-32)72-73(69,70)71/h5-9,12-15,17-18,20-21,29,31,34,39-42,46,53H,4,10-11,16,19,22-28,30H2,1-3H3,(H2,52,65)(H,54,67)(H,55,60)(H,56,66)(H,62,63)(H,69,70,71)/t31-,34?,39-,40-,41-,42-,46+/s2
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n/an/a 0.900n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004482
PNG
(CCK7 analogue | CHEMBL263742 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-38(26-32-28-50-35-18-12-11-15-34(32)35)47(64)54-37(17-7-5-2)46(63)55-39(27-43(59)60)48(65)56(3)40(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,64)(H,55,63)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004485
PNG
(CCK7 analogue | CHEMBL98631)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N7O12S/c1-27(2)22-35(42(57)51-37(25-40(54)55)44(59)49-34(41(45)56)23-29-10-4-3-5-11-29)50-43(58)36(24-30-26-47-33-13-7-6-12-32(30)33)48-39(53)14-8-9-21-46-38(52)20-17-28-15-18-31(19-16-28)63-64(60,61)62/h3-7,10-13,15-16,18-19,26-27,34-37,47H,8-9,14,17,20-25H2,1-2H3,(H2,45,56)(H,46,52)(H,48,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H,60,61,62)/t34-,35-,36-,37-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004475
PNG
(CCK7 analogue | CHEMBL439591 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-5-14-35(51-40(56)21-18-29-16-19-32(20-17-29)68-69(65,66)67)44(61)50-27-41(57)52-38(24-31-26-49-34-15-10-9-13-33(31)34)46(63)54-37(22-28(2)3)45(62)55-39(25-42(58)59)47(64)53-36(43(48)60)23-30-11-7-6-8-12-30/h6-13,15-17,19-20,26,28,35-39,49H,4-5,14,18,21-25,27H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,64)(H,54,63)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50421963
PNG
(CHEMBL2310856)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C46H56N8O13S/c1-2-3-13-34(43(60)53-37(25-41(57)58)45(62)52-35(42(47)59)23-29-10-5-4-6-11-29)51-44(61)36(24-30-26-48-33-14-8-7-12-32(30)33)50-39(55)27-49-46(63)38-15-9-22-54(38)40(56)21-18-28-16-19-31(20-17-28)67-68(64,65)66/h4-8,10-12,14,16-17,19-20,26,34-38,48H,2-3,9,13,15,18,21-25,27H2,1H3,(H2,47,59)(H,49,63)(H,50,55)(H,51,61)(H,52,62)(H,53,60)(H,57,58)(H,64,65,66)/t34-,35-,36-,37-,38-/s2
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50421963
PNG
(CHEMBL2310856)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C46H56N8O13S/c1-2-3-13-34(43(60)53-37(25-41(57)58)45(62)52-35(42(47)59)23-29-10-5-4-6-11-29)51-44(61)36(24-30-26-48-33-14-8-7-12-32(30)33)50-39(55)27-49-46(63)38-15-9-22-54(38)40(56)21-18-28-16-19-31(20-17-28)67-68(64,65)66/h4-8,10-12,14,16-17,19-20,26,34-38,48H,2-3,9,13,15,18,21-25,27H2,1H3,(H2,47,59)(H,49,63)(H,50,55)(H,51,61)(H,52,62)(H,53,60)(H,57,58)(H,64,65,66)/t34-,35-,36-,37-,38-/s2
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004489
PNG
(CCK7 analogue | CHEMBL318010)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O13S/c1-2-3-12-32(41(58)51-35(22-39(55)56)43(60)50-33(40(44)57)20-27-9-5-4-6-10-27)49-42(59)34(21-28-23-45-31-13-8-7-11-30(28)31)48-38(54)25-47-37(53)24-46-36(52)19-16-26-14-17-29(18-15-26)64-65(61,62)63/h4-11,13-15,17-18,23,32-35,45H,2-3,12,16,19-22,24-25H2,1H3,(H2,44,57)(H,46,52)(H,47,53)(H,48,54)(H,49,59)(H,50,60)(H,51,58)(H,55,56)(H,61,62,63)/t32-,33-,34-,35-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004483
PNG
(CCK7 analogue | CHEMBL269355)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCC)[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H64N8O13S/c1-4-6-16-38(54-42(59)23-20-31-18-21-35(22-19-31)71-72(68,69)70)47(64)53-30-43(60)55-39(27-34-29-52-37-17-11-10-15-36(34)37)50(67)58-25-24-33(12-5-2)45(58)48(65)56-40(28-44(61)62)49(66)57(3)41(46(51)63)26-32-13-8-7-9-14-32/h7-11,13-15,17-19,21-22,29,33,38-41,45,52H,4-6,12,16,20,23-28,30H2,1-3H3,(H2,51,63)(H,53,64)(H,54,59)(H,55,60)(H,56,65)(H,61,62)(H,68,69,70)/t33?,38-,39-,40-,41-,45-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004475
PNG
(CCK7 analogue | CHEMBL439591 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-5-14-35(51-40(56)21-18-29-16-19-32(20-17-29)68-69(65,66)67)44(61)50-27-41(57)52-38(24-31-26-49-34-15-10-9-13-33(31)34)46(63)54-37(22-28(2)3)45(62)55-39(25-42(58)59)47(64)53-36(43(48)60)23-30-11-7-6-8-12-30/h6-13,15-17,19-20,26,28,35-39,49H,4-5,14,18,21-25,27H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,64)(H,54,63)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004481
PNG
(CCK7 analogue | CHEMBL99499)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N\C(=C/c1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,24,27,35-36,38-39,49H,3-6,15-16,20,23,25-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/b37-24-/t35-,36-,38-,39-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004489
PNG
(CCK7 analogue | CHEMBL318010)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O13S/c1-2-3-12-32(41(58)51-35(22-39(55)56)43(60)50-33(40(44)57)20-27-9-5-4-6-10-27)49-42(59)34(21-28-23-45-31-13-8-7-11-30(28)31)48-38(54)25-47-37(53)24-46-36(52)19-16-26-14-17-29(18-15-26)64-65(61,62)63/h4-11,13-15,17-18,23,32-35,45H,2-3,12,16,19-22,24-25H2,1H3,(H2,44,57)(H,46,52)(H,47,53)(H,48,54)(H,49,59)(H,50,60)(H,51,58)(H,55,56)(H,61,62,63)/t32-,33-,34-,35-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50421964
PNG
(CHEMBL2310858)
Show SMILES CCCC1CCN([C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(N)=O)[C@H]1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(O)(=O)=O)cc1
Show InChI InChI=1/C51H64N8O13S/c1-4-11-34-23-25-58(31(2)49(66)56-40(28-45(62)63)51(68)57(3)42(48(52)65)26-33-12-6-5-7-13-33)46(34)47(64)39(27-35-29-53-38-15-9-8-14-37(35)38)55-43(60)30-54-50(67)41-16-10-24-59(41)44(61)22-19-32-17-20-36(21-18-32)72-73(69,70)71/h5-9,12-15,17-18,20-21,29,31,34,39-42,46,53H,4,10-11,16,19,22-28,30H2,1-3H3,(H2,52,65)(H,54,67)(H,55,60)(H,56,66)(H,62,63)(H,69,70,71)/t31-,34?,39-,40-,41-,42-,46+/s2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004478
PNG
(CCK7 analogue | CHEMBL98332)
Show SMILES CCCC[C@H](NC(=O)\C=C\c1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-23,27,35-39,49H,3-6,15-16,24-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/b23-20+/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004491
PNG
(CCK7 analogue | CHEMBL98446)
Show SMILES CCCC[C@@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36+,37+,38+,39+/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its binding affinity towards Cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004481
PNG
(CCK7 analogue | CHEMBL99499)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N\C(=C/c1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,24,27,35-36,38-39,49H,3-6,15-16,20,23,25-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/b37-24-/t35-,36-,38-,39-/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004482
PNG
(CCK7 analogue | CHEMBL263742 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-38(26-32-28-50-35-18-12-11-15-34(32)35)47(64)54-37(17-7-5-2)46(63)55-39(27-43(59)60)48(65)56(3)40(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,64)(H,55,63)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004492
PNG
(CCK7 analogue | CHEMBL98720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(O)(=O)=O)cc2)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H54N8O13S/c1-2-3-12-33(42(59)52-37(24-40(56)57)44(61)51-35(41(46)58)22-28-9-5-4-6-10-28)50-43(60)36(23-29-25-47-32-13-8-7-11-31(29)32)49-39(55)26-53-21-20-34(45(53)62)48-38(54)19-16-27-14-17-30(18-15-27)66-67(63,64)65/h4-11,13-15,17-18,25,33-37,47H,2-3,12,16,19-24,26H2,1H3,(H2,46,58)(H,48,54)(H,49,55)(H,50,60)(H,51,61)(H,52,59)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004486
PNG
(CCK7 analogue | CHEMBL316709)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-4-14-35(51-40(56)22-19-29-17-20-32(21-18-29)68-69(65,66)67)44(61)50-28-41(57)52-36(25-31-27-49-34-15-9-8-13-33(31)34)47(64)55-23-10-16-38(55)45(62)53-37(26-42(58)59)46(63)54(2)39(43(48)60)24-30-11-6-5-7-12-30/h5-9,11-13,15,17-18,20-21,27,35-39,49H,3-4,10,14,16,19,22-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50455609
PNG
(CHEMBL2310857)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1CC(C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O)OS(O)(=O)=O
Show InChI InChI=1/C48H62N8O15S2/c1-3-5-15-37(52-42(57)23-20-30-18-21-33(22-19-30)70-72(64,65)66)45(60)51-28-43(58)53-40(25-32-27-50-36-17-11-10-14-35(32)36)46(61)54-38(16-6-4-2)48(63)56-29-34(71-73(67,68)69)26-41(56)47(62)55-39(44(49)59)24-31-12-8-7-9-13-31/h7-14,17-19,21-22,27,34,37-41,50H,3-6,15-16,20,23-26,28-29H2,1-2H3,(H2,49,59)(H,51,60)(H,52,57)(H,53,58)(H,54,61)(H,55,62)(H,64,65,66)(H,67,68,69)/t34?,37-,38-,39-,40-,41-/s2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004478
PNG
(CCK7 analogue | CHEMBL98332)
Show SMILES CCCC[C@H](NC(=O)\C=C\c1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-23,27,35-39,49H,3-6,15-16,24-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/b23-20+/t35-,36-,37-,38-,39-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004488
PNG
(CCK7 analogue | CHEMBL414793)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29(3)44(61)55-39(26-32-28-50-35-18-12-11-15-34(32)35)47(64)53-37(17-7-5-2)46(63)56-40(27-42(58)59)48(65)54-38(43(49)60)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28-29,36-40,50H,4-7,16-17,21,24-27H2,1-3H3,(H2,49,60)(H,51,62)(H,52,57)(H,53,64)(H,54,65)(H,55,61)(H,56,63)(H,58,59)(H,66,67,68)/t29-,36+,37+,38+,39+,40+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004487
PNG
(CCK7 analogue | CHEMBL408286)
Show SMILES CCCC[C@H](NC(=O)c1ccc2cc(OS(O)(=O)=O)ccc2c1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H58N8O13S/c1-3-5-15-37(54-45(62)32-19-18-31-24-34(70-71(67,68)69)21-20-30(31)23-32)46(63)52-28-42(58)53-40(25-33-27-51-36-17-11-10-14-35(33)36)48(65)55-38(16-6-4-2)47(64)57-41(26-43(59)60)49(66)56-39(44(50)61)22-29-12-8-7-9-13-29/h7-14,17-21,23-24,27,37-41,51H,3-6,15-16,22,25-26,28H2,1-2H3,(H2,50,61)(H,52,63)(H,53,58)(H,54,62)(H,55,65)(H,56,66)(H,57,64)(H,59,60)(H,67,68,69)/t37-,38-,39-,40-,41-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004486
PNG
(CCK7 analogue | CHEMBL316709)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-4-14-35(51-40(56)22-19-29-17-20-32(21-18-29)68-69(65,66)67)44(61)50-28-41(57)52-36(25-31-27-49-34-15-9-8-13-33(31)34)47(64)55-23-10-16-38(55)45(62)53-37(26-42(58)59)46(63)54(2)39(43(48)60)24-30-11-6-5-7-12-30/h5-9,11-13,15,17-18,20-21,27,35-39,49H,3-4,10,14,16,19,22-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004488
PNG
(CCK7 analogue | CHEMBL414793)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29(3)44(61)55-39(26-32-28-50-35-18-12-11-15-34(32)35)47(64)53-37(17-7-5-2)46(63)56-40(27-42(58)59)48(65)54-38(43(49)60)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28-29,36-40,50H,4-7,16-17,21,24-27H2,1-3H3,(H2,49,60)(H,51,62)(H,52,57)(H,53,64)(H,54,65)(H,55,61)(H,56,63)(H,58,59)(H,66,67,68)/t29-,36+,37+,38+,39+,40+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004492
PNG
(CCK7 analogue | CHEMBL98720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(O)(=O)=O)cc2)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H54N8O13S/c1-2-3-12-33(42(59)52-37(24-40(56)57)44(61)51-35(41(46)58)22-28-9-5-4-6-10-28)50-43(60)36(23-29-25-47-32-13-8-7-11-31(29)32)49-39(55)26-53-21-20-34(45(53)62)48-38(54)19-16-27-14-17-30(18-15-27)66-67(63,64)65/h4-11,13-15,17-18,25,33-37,47H,2-3,12,16,19-24,26H2,1H3,(H2,46,58)(H,48,54)(H,49,55)(H,50,60)(H,51,61)(H,52,59)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004490
PNG
(CCK7 analogue | CHEMBL412238 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-5-6-15-36(52-41(57)22-19-30-17-20-33(21-18-30)69-70(66,67)68)45(62)51-28-42(58)53-39(25-32-27-50-35-16-11-10-14-34(32)35)48(65)56(4)40(23-29(2)3)47(64)55-38(26-43(59)60)46(63)54-37(44(49)61)24-31-12-8-7-9-13-31/h7-14,16-18,20-21,27,29,36-40,50H,5-6,15,19,22-26,28H2,1-4H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50455609
PNG
(CHEMBL2310857)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1CC(C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O)OS(O)(=O)=O
Show InChI InChI=1/C48H62N8O15S2/c1-3-5-15-37(52-42(57)23-20-30-18-21-33(22-19-30)70-72(64,65)66)45(60)51-28-43(58)53-40(25-32-27-50-36-17-11-10-14-35(32)36)46(61)54-38(16-6-4-2)48(63)56-29-34(71-73(67,68)69)26-41(56)47(62)55-39(44(49)59)24-31-12-8-7-9-13-31/h7-14,17-19,21-22,27,34,37-41,50H,3-6,15-16,20,23-26,28-29H2,1-2H3,(H2,49,59)(H,51,60)(H,52,57)(H,53,58)(H,54,61)(H,55,62)(H,64,65,66)(H,67,68,69)/t34?,37-,38-,39-,40-,41-/s2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004491
PNG
(CCK7 analogue | CHEMBL98446)
Show SMILES CCCC[C@@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36+,37+,38+,39+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004485
PNG
(CCK7 analogue | CHEMBL98631)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N7O12S/c1-27(2)22-35(42(57)51-37(25-40(54)55)44(59)49-34(41(45)56)23-29-10-4-3-5-11-29)50-43(58)36(24-30-26-47-33-13-7-6-12-32(30)33)48-39(53)14-8-9-21-46-38(52)20-17-28-15-18-31(19-16-28)63-64(60,61)62/h3-7,10-13,15-16,18-19,26-27,34-37,47H,8-9,14,17,20-25H2,1-2H3,(H2,45,56)(H,46,52)(H,48,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H,60,61,62)/t34-,35-,36-,37-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004477
PNG
(CCK7 analogue | CHEMBL269016 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-39(26-32-28-50-35-18-12-11-15-34(32)35)46(63)54-37(17-7-5-2)48(65)56(3)40(27-43(59)60)47(64)55-38(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)		BDBM50004487
PNG
(CCK7 analogue | CHEMBL408286)
Show SMILES CCCC[C@H](NC(=O)c1ccc2cc(OS(O)(=O)=O)ccc2c1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H58N8O13S/c1-3-5-15-37(54-45(62)32-19-18-31-24-34(70-71(67,68)69)21-20-30(31)23-32)46(63)52-28-42(58)53-40(25-33-27-51-36-17-11-10-14-35(33)36)48(65)55-38(16-6-4-2)47(64)57-41(26-43(59)60)49(66)56-39(44(50)61)22-29-12-8-7-9-13-29/h7-14,17-21,23-24,27,37-41,51H,3-6,15-16,22,25-26,28H2,1-2H3,(H2,50,61)(H,52,63)(H,53,58)(H,54,62)(H,55,65)(H,56,66)(H,57,64)(H,59,60)(H,67,68,69)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004485
PNG
(CCK7 analogue | CHEMBL98631)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N7O12S/c1-27(2)22-35(42(57)51-37(25-40(54)55)44(59)49-34(41(45)56)23-29-10-4-3-5-11-29)50-43(58)36(24-30-26-47-33-13-7-6-12-32(30)33)48-39(53)14-8-9-21-46-38(52)20-17-28-15-18-31(19-16-28)63-64(60,61)62/h3-7,10-13,15-16,18-19,26-27,34-37,47H,8-9,14,17,20-25H2,1-2H3,(H2,45,56)(H,46,52)(H,48,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H,60,61,62)/t34-,35-,36-,37-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation rate constant of compound for mutant T46N Escherichia coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004475
PNG
(CCK7 analogue | CHEMBL439591 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-5-14-35(51-40(56)21-18-29-16-19-32(20-17-29)68-69(65,66)67)44(61)50-27-41(57)52-38(24-31-26-49-34-15-10-9-13-33(31)34)46(63)54-37(22-28(2)3)45(62)55-39(25-42(58)59)47(64)53-36(43(48)60)23-30-11-7-6-8-12-30/h6-13,15-17,19-20,26,28,35-39,49H,4-5,14,18,21-25,27H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,64)(H,54,63)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Thermodynamic dissociation constant of compound for mutant T46N E. coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004480
PNG
(CCK7 analogue | CHEMBL316944)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-5-14-35(45(62)55-39(25-42(58)59)47(64)54-36(43(48)60)23-30-11-7-6-8-12-30)53-46(63)38(24-31-26-49-34-15-10-9-13-33(31)34)52-41(57)27-50-44(61)37(22-28(2)3)51-40(56)21-18-29-16-19-32(20-17-29)68-69(65,66)67/h6-13,15-17,19-20,26,28,35-39,49H,4-5,14,18,21-25,27H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 0.640n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation rate constant of compound for mutant T46A Escherichia coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004474
PNG
(CCK7 analogue | CHEMBL316949 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 0.990n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation rate constant of compound for mutant T46A Escherichia coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004481
PNG
(CCK7 analogue | CHEMBL99499)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N\C(=C/c1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,24,27,35-36,38-39,49H,3-6,15-16,20,23,25-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/b37-24-/t35-,36-,38-,39-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation rate constant of compound for mutant T46S Escherichia coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50455609
PNG
(CHEMBL2310857)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1CC(C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O)OS(O)(=O)=O
Show InChI InChI=1/C48H62N8O15S2/c1-3-5-15-37(52-42(57)23-20-30-18-21-33(22-19-30)70-72(64,65)66)45(60)51-28-43(58)53-40(25-32-27-50-36-17-11-10-14-35(32)36)46(61)54-38(16-6-4-2)48(63)56-29-34(71-73(67,68)69)26-41(56)47(62)55-39(44(49)59)24-31-12-8-7-9-13-31/h7-14,17-19,21-22,27,34,37-41,50H,3-6,15-16,20,23-26,28-29H2,1-2H3,(H2,49,59)(H,51,60)(H,52,57)(H,53,58)(H,54,61)(H,55,62)(H,64,65,66)(H,67,68,69)/t34?,37-,38-,39-,40-,41-/s2
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n/an/an/an/a 6.90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation rate constant of compound for mutant T46N Escherichia coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004492
PNG
(CCK7 analogue | CHEMBL98720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(O)(=O)=O)cc2)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H54N8O13S/c1-2-3-12-33(42(59)52-37(24-40(56)57)44(61)51-35(41(46)58)22-28-9-5-4-6-10-28)50-43(60)36(23-29-25-47-32-13-8-7-11-31(29)32)49-39(55)26-53-21-20-34(45(53)62)48-38(54)19-16-27-14-17-30(18-15-27)66-67(63,64)65/h4-11,13-15,17-18,25,33-37,47H,2-3,12,16,19-24,26H2,1H3,(H2,46,58)(H,48,54)(H,49,55)(H,50,60)(H,51,61)(H,52,59)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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n/an/an/an/a 71n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation rate constant of compound for wild type Escherichia coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004489
PNG
(CCK7 analogue | CHEMBL318010)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O13S/c1-2-3-12-32(41(58)51-35(22-39(55)56)43(60)50-33(40(44)57)20-27-9-5-4-6-10-27)49-42(59)34(21-28-23-45-31-13-8-7-11-30(28)31)48-38(54)25-47-37(53)24-46-36(52)19-16-26-14-17-29(18-15-26)64-65(61,62)63/h4-11,13-15,17-18,23,32-35,45H,2-3,12,16,19-22,24-25H2,1H3,(H2,44,57)(H,46,52)(H,47,53)(H,48,54)(H,49,59)(H,50,60)(H,51,58)(H,55,56)(H,61,62,63)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Thermodynamic dissociation constant of compound for wild type E. coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004482
PNG
(CCK7 analogue | CHEMBL263742 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-38(26-32-28-50-35-18-12-11-15-34(32)35)47(64)54-37(17-7-5-2)46(63)55-39(27-43(59)60)48(65)56(3)40(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,64)(H,55,63)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 0.320n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Thermodynamic dissociation constant of compound for mutant T46A E. coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004490
PNG
(CCK7 analogue | CHEMBL412238 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-5-6-15-36(52-41(57)22-19-30-17-20-33(21-18-30)69-70(66,67)68)45(62)51-28-42(58)53-39(25-32-27-50-35-16-11-10-14-34(32)35)48(65)56(4)40(23-29(2)3)47(64)55-38(26-43(59)60)46(63)54-37(44(49)61)24-31-12-8-7-9-13-31/h7-14,16-18,20-21,27,29,36-40,50H,5-6,15,19,22-26,28H2,1-4H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for mutant T46N E. coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004488
PNG
(CCK7 analogue | CHEMBL414793)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29(3)44(61)55-39(26-32-28-50-35-18-12-11-15-34(32)35)47(64)53-37(17-7-5-2)46(63)56-40(27-42(58)59)48(65)54-38(43(49)60)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28-29,36-40,50H,4-7,16-17,21,24-27H2,1-3H3,(H2,49,60)(H,51,62)(H,52,57)(H,53,64)(H,54,65)(H,55,61)(H,56,63)(H,58,59)(H,66,67,68)/t29-,36+,37+,38+,39+,40+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation rate constant of compound for mutant T46S Escherichia coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004483
PNG
(CCK7 analogue | CHEMBL269355)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCC)[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H64N8O13S/c1-4-6-16-38(54-42(59)23-20-31-18-21-35(22-19-31)71-72(68,69)70)47(64)53-30-43(60)55-39(27-34-29-52-37-17-11-10-15-36(34)37)50(67)58-25-24-33(12-5-2)45(58)48(65)56-40(28-44(61)62)49(66)57(3)41(46(51)63)26-32-13-8-7-9-14-32/h7-11,13-15,17-19,21-22,29,33,38-41,45,52H,4-6,12,16,20,23-28,30H2,1-3H3,(H2,51,63)(H,53,64)(H,54,59)(H,55,60)(H,56,65)(H,61,62)(H,68,69,70)/t33?,38-,39-,40-,41-,45-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation rate constant of compound for wild type Escherichia coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50421963
PNG
(CHEMBL2310856)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C46H56N8O13S/c1-2-3-13-34(43(60)53-37(25-41(57)58)45(62)52-35(42(47)59)23-29-10-5-4-6-11-29)51-44(61)36(24-30-26-48-33-14-8-7-12-32(30)33)50-39(55)27-49-46(63)38-15-9-22-54(38)40(56)21-18-28-16-19-31(20-17-28)67-68(64,65)66/h4-8,10-12,14,16-17,19-20,26,34-38,48H,2-3,9,13,15,18,21-25,27H2,1H3,(H2,47,59)(H,49,63)(H,50,55)(H,51,61)(H,52,62)(H,53,60)(H,57,58)(H,64,65,66)/t34-,35-,36-,37-,38-/s2
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n/an/an/an/a 0.700n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for wild type E. coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))		BDBM50004477
PNG
(CCK7 analogue | CHEMBL269016 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-39(26-32-28-50-35-18-12-11-15-34(32)35)46(63)54-37(17-7-5-2)48(65)56(3)40(27-43(59)60)47(64)55-38(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Thermodynamic dissociation constant of compound for wild type E. coli dihydrofolate reductase

J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%