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7 similar compounds to monomer 50089269

Compile data set for download or QSAR
Wt: 1163.2
BDBM50004438
Wt: 1163.2
BDBM50004439
Wt: 991.1
BDBM50004482
Wt: 977.0
BDBM50061828
Wt: 977.0
BDBM50061829
Wt: 977.0
BDBM50061833
Wt: 1073.1
BDBM50089268

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50004438,50004439,50004482,50061828,50061829,50061833,50089268   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(RAT)
BDBM50061829
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(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/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061828
PNG
(CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(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/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


Article DOI: 10.1021/jm990252e
BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061828
PNG
(CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(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/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089268
PNG
(CHEMBL267861 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O12/c1-4-5-20-42(61-47(68)29-36-23-25-38(67)26-24-36)52(74)60-33-48(69)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(76)63-43(22-13-14-27-58-56(78)65-51(73)39-18-10-9-15-34(39)2)53(75)64-45(31-49(70)71)55(77)66(3)46(50(57)72)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59,67H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,72)(H,60,74)(H,61,68)(H,62,69)(H,63,76)(H,64,75)(H,70,71)(H2,58,65,73,78)
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0.0500n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


Article DOI: 10.1021/jm990252e
BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061833
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(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/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(63)53-36(17-7-5-2)45(62)54-38(26-42(58)59)47(64)55(3)39(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38+,39-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50089268
PNG
(CHEMBL267861 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O12/c1-4-5-20-42(61-47(68)29-36-23-25-38(67)26-24-36)52(74)60-33-48(69)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(76)63-43(22-13-14-27-58-56(78)65-51(73)39-18-10-9-15-34(39)2)53(75)64-45(31-49(70)71)55(77)66(3)46(50(57)72)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59,67H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,72)(H,60,74)(H,61,68)(H,62,69)(H,63,76)(H,64,75)(H,70,71)(H2,58,65,73,78)
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200n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in rat cortex synaptosomes using [125I]BH-CCK-8 as radioligand


J Med Chem 43: 2350-5 (2000)


Article DOI: 10.1021/jm990252e
BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50061828
PNG
(CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(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/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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224n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50061828
PNG
(CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(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/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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224n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in rat cortex synaptosomes using [125I]BH-CCK-8 as radioligand


J Med Chem 43: 2350-5 (2000)


Article DOI: 10.1021/jm990252e
BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50061833
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(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/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(63)53-36(17-7-5-2)45(62)54-38(26-42(58)59)47(64)55(3)39(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38+,39-/m0/s1
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430n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50061829
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(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/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004439
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)NC(C)=O)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/C54H70N10O17S/c1-5-7-17-38(61-53(76)44(25-33-20-22-35(23-21-33)81-82(78,79)80)64(4)54(77)43(28-47(69)70)58-31(3)65)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)51(74)60-39(18-8-6-2)50(73)63-42(27-46(67)68)52(75)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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MMDB

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n/an/an/an/a 3.5n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig ileum consists of two or three CCK receptor subtypes


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
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
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


Article DOI: 10.1021/jm00031a013
BindingDB Entry DOI: 10.7270/Q23X878C
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))
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))
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))
BDBM50004439
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)NC(C)=O)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/C54H70N10O17S/c1-5-7-17-38(61-53(76)44(25-33-20-22-35(23-21-33)81-82(78,79)80)64(4)54(77)43(28-47(69)70)58-31(3)65)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)51(74)60-39(18-8-6-2)50(73)63-42(27-46(67)68)52(75)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004438
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{1-[(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)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/C54H70N10O17S/c1-5-7-17-38(60-51(74)40(62-53(76)42(27-46(67)68)58-31(3)65)24-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)52(75)61-39(18-8-6-2)50(73)63-43(28-47(69)70)54(77)64(4)44(48(55)71)25-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,75)(H,62,76)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004438
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{1-[(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)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/C54H70N10O17S/c1-5-7-17-38(60-51(74)40(62-53(76)42(27-46(67)68)58-31(3)65)24-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)52(75)61-39(18-8-6-2)50(73)63-43(28-47(69)70)54(77)64(4)44(48(55)71)25-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,75)(H,62,76)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig ileum consists of two or three CCK receptor subtypes


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004439
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)NC(C)=O)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/C54H70N10O17S/c1-5-7-17-38(61-53(76)44(25-33-20-22-35(23-21-33)81-82(78,79)80)64(4)54(77)43(28-47(69)70)58-31(3)65)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)51(74)60-39(18-8-6-2)50(73)63-42(27-46(67)68)52(75)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004438
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{1-[(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)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/C54H70N10O17S/c1-5-7-17-38(60-51(74)40(62-53(76)42(27-46(67)68)58-31(3)65)24-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)52(75)61-39(18-8-6-2)50(73)63-43(28-47(69)70)54(77)64(4)44(48(55)71)25-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,75)(H,62,76)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair