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PubMed code 1701834

Compile data set for download or QSAR
Found 17 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))
BDBM50007927
PNG
(Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C42H59N9O13S/c1-5-6-11-29(48-39(58)32(51-41(60)64-42(2,3)4)19-24-14-16-26(17-15-24)65(61,62)63)37(56)46-23-34(52)47-33(20-25-22-45-28-12-8-7-10-27(25)28)40(59)49-30(13-9-18-43)38(57)50-31(36(44)55)21-35(53)54/h7-8,10,12,14-17,22,29-33,45H,5-6,9,11,13,18-21,23,43H2,1-4H3,(H2,44,55)(H,46,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,53,54)(H,61,62,63)/t29-,30-,31-,32-,33-/m0/s1
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54n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


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


(Homo sapiens (human))
BDBM50421880
PNG
(CHEMBL2028898)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H68N10O14S/c1-5-6-16-36(57-47(68)39(61-50(71)75-51(2,3)4)25-31-19-21-33(22-20-31)76(72,73)74)45(66)55-29-42(62)56-40(26-32-28-54-35-17-11-10-15-34(32)35)48(69)58-37(18-12-23-52)46(67)60-41(27-43(63)64)49(70)59-38(44(53)65)24-30-13-8-7-9-14-30/h7-11,13-15,17,19-22,28,36-41,54H,5-6,12,16,18,23-27,29,52H2,1-4H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t36-,37-,38-,39-,40-,41-/m0/s1
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113n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


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


(Cavia porcellus)
BDBM50421881
PNG
(CHEMBL2112488)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1
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200n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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


(Cavia porcellus)
BDBM50007927
PNG
(Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C42H59N9O13S/c1-5-6-11-29(48-39(58)32(51-41(60)64-42(2,3)4)19-24-14-16-26(17-15-24)65(61,62)63)37(56)46-23-34(52)47-33(20-25-22-45-28-12-8-7-10-27(25)28)40(59)49-30(13-9-18-43)38(57)50-31(36(44)55)21-35(53)54/h7-8,10,12,14-17,22,29-33,45H,5-6,9,11,13,18-21,23,43H2,1-4H3,(H2,44,55)(H,46,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,53,54)(H,61,62,63)/t29-,30-,31-,32-,33-/m0/s1
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230n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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


(Homo sapiens (human))
BDBM50007932
PNG
(Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H76N10O16S/c1-8-9-19-39(62-50(73)42(66-54(77)82-56(5,6)7)28-34-22-24-36(25-23-34)83(78,79)80)48(71)60-32-45(67)61-43(29-35-31-59-38-20-14-13-18-37(35)38)51(74)63-40(21-15-26-58-53(76)81-55(2,3)4)49(72)65-44(30-46(68)69)52(75)64-41(47(57)70)27-33-16-11-10-12-17-33/h10-14,16-18,20,22-25,31,39-44,59H,8-9,15,19,21,26-30,32H2,1-7H3,(H2,57,70)(H,58,76)(H,60,71)(H,61,67)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,77)(H,68,69)(H,78,79,80)/t39-,40-,41-,42-,43-,44-/m0/s1
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290n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


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


(Cavia porcellus)
BDBM50421880
PNG
(CHEMBL2028898)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H68N10O14S/c1-5-6-16-36(57-47(68)39(61-50(71)75-51(2,3)4)25-31-19-21-33(22-20-31)76(72,73)74)45(66)55-29-42(62)56-40(26-32-28-54-35-17-11-10-15-34(32)35)48(69)58-37(18-12-23-52)46(67)60-41(27-43(63)64)49(70)59-38(44(53)65)24-30-13-8-7-9-14-30/h7-11,13-15,17,19-22,28,36-41,54H,5-6,12,16,18,23-27,29,52H2,1-4H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t36-,37-,38-,39-,40-,41-/m0/s1
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340n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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


(Cavia porcellus)
BDBM50421880
PNG
(CHEMBL2028898)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H68N10O14S/c1-5-6-16-36(57-47(68)39(61-50(71)75-51(2,3)4)25-31-19-21-33(22-20-31)76(72,73)74)45(66)55-29-42(62)56-40(26-32-28-54-35-17-11-10-15-34(32)35)48(69)58-37(18-12-23-52)46(67)60-41(27-43(63)64)49(70)59-38(44(53)65)24-30-13-8-7-9-14-30/h7-11,13-15,17,19-22,28,36-41,54H,5-6,12,16,18,23-27,29,52H2,1-4H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t36-,37-,38-,39-,40-,41-/m0/s1
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340n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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


(Homo sapiens (human))
BDBM50007929
PNG
(3-{5-Amino-2-[2-tert-butoxycarbonylamino-3-(1H-ind...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H45N7O8/c1-34(2,3)49-33(48)41-26(17-21-19-37-23-13-8-7-12-22(21)23)31(46)38-24(14-9-15-35)30(45)40-27(18-28(42)43)32(47)39-25(29(36)44)16-20-10-5-4-6-11-20/h4-8,10-13,19,24-27,37H,9,14-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t24-,25-,26-,27-/m0/s1
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580n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


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


(Homo sapiens (human))
BDBM50007929
PNG
(3-{5-Amino-2-[2-tert-butoxycarbonylamino-3-(1H-ind...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H45N7O8/c1-34(2,3)49-33(48)41-26(17-21-19-37-23-13-8-7-12-22(21)23)31(46)38-24(14-9-15-35)30(45)40-27(18-28(42)43)32(47)39-25(29(36)44)16-20-10-5-4-6-11-20/h4-8,10-13,19,24-27,37H,9,14-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t24-,25-,26-,27-/m0/s1
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580n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


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


(Cavia porcellus)
BDBM50007932
PNG
(Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H76N10O16S/c1-8-9-19-39(62-50(73)42(66-54(77)82-56(5,6)7)28-34-22-24-36(25-23-34)83(78,79)80)48(71)60-32-45(67)61-43(29-35-31-59-38-20-14-13-18-37(35)38)51(74)63-40(21-15-26-58-53(76)81-55(2,3)4)49(72)65-44(30-46(68)69)52(75)64-41(47(57)70)27-33-16-11-10-12-17-33/h10-14,16-18,20,22-25,31,39-44,59H,8-9,15,19,21,26-30,32H2,1-7H3,(H2,57,70)(H,58,76)(H,60,71)(H,61,67)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,77)(H,68,69)(H,78,79,80)/t39-,40-,41-,42-,43-,44-/m0/s1
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660n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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


(Homo sapiens (human))
BDBM50007933
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H53N7O10/c1-38(2,3)55-36(53)41-18-12-17-27(33(50)45-30(21-31(47)48)35(52)44-28(32(40)49)19-23-13-8-7-9-14-23)43-34(51)29(46-37(54)56-39(4,5)6)20-24-22-42-26-16-11-10-15-25(24)26/h7-11,13-16,22,27-30,42H,12,17-21H2,1-6H3,(H2,40,49)(H,41,53)(H,43,51)(H,44,52)(H,45,50)(H,46,54)(H,47,48)
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2.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


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


(Homo sapiens (human))
BDBM50421881
PNG
(CHEMBL2112488)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


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


(Homo sapiens (human))
BDBM50007930
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(N)=O
Show InChI InChI=1S/C30H44N6O9/c1-29(2,3)44-27(42)32-13-9-12-20(25(40)35-21(24(31)39)15-23(37)38)34-26(41)22(36-28(43)45-30(4,5)6)14-17-16-33-19-11-8-7-10-18(17)19/h7-8,10-11,16,20-22,33H,9,12-15H2,1-6H3,(H2,31,39)(H,32,42)(H,34,41)(H,35,40)(H,36,43)(H,37,38)
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4.30E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


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


(Cavia porcellus)
BDBM50007933
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H53N7O10/c1-38(2,3)55-36(53)41-18-12-17-27(33(50)45-30(21-31(47)48)35(52)44-28(32(40)49)19-23-13-8-7-9-14-23)43-34(51)29(46-37(54)56-39(4,5)6)20-24-22-42-26-16-11-10-15-25(24)26/h7-11,13-16,22,27-30,42H,12,17-21H2,1-6H3,(H2,40,49)(H,41,53)(H,43,51)(H,44,52)(H,45,50)(H,46,54)(H,47,48)
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5.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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


(Cavia porcellus)
BDBM50007929
PNG
(3-{5-Amino-2-[2-tert-butoxycarbonylamino-3-(1H-ind...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H45N7O8/c1-34(2,3)49-33(48)41-26(17-21-19-37-23-13-8-7-12-22(21)23)31(46)38-24(14-9-15-35)30(45)40-27(18-28(42)43)32(47)39-25(29(36)44)16-20-10-5-4-6-11-20/h4-8,10-13,19,24-27,37H,9,14-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t24-,25-,26-,27-/m0/s1
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1.40E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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


(Cavia porcellus)
BDBM50007930
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(N)=O
Show InChI InChI=1S/C30H44N6O9/c1-29(2,3)44-27(42)32-13-9-12-20(25(40)35-21(24(31)39)15-23(37)38)34-26(41)22(36-28(43)45-30(4,5)6)14-17-16-33-19-11-8-7-10-18(17)19/h7-8,10-11,16,20-22,33H,9,12-15H2,1-6H3,(H2,31,39)(H,32,42)(H,34,41)(H,35,40)(H,36,43)(H,37,38)
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2.90E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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


(Cavia porcellus)
BDBM50421881
PNG
(CHEMBL2112488)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


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