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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'kaiser' and Initial = 'f'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(RAT)
BDBM50089269
PNG
(CHEMBL276192 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(OS(O)(=O)=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/C56H68N10O15S/c1-4-5-20-42(61-47(67)29-36-23-25-38(26-24-36)81-82(78,79)80)52(73)60-33-48(68)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(75)63-43(22-13-14-27-58-56(77)65-51(72)39-18-10-9-15-34(39)2)53(74)64-45(31-49(69)70)55(76)66(3)46(50(57)71)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,71)(H,60,73)(H,61,67)(H,62,68)(H,63,75)(H,64,74)(H,69,70)(H,78,79,80)(H2,58,65,72,77)
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0.0200n/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)


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



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)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
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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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)


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


(RAT)
BDBM50061832
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[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](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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0.0700n/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)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.0900n/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)


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


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.0900n/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)
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
Cholecystokinin receptor


(RAT)
BDBM50369326
PNG
(CHEMBL1791002)
Show SMILES CC[C@H](C)[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]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-6-27(3)41(53-38(56)22-30-17-19-32(20-18-30)68-69(65,66)67)46(63)50-26-39(57)51-36(23-31-25-49-34-16-12-11-15-33(31)34)44(61)54-42(28(4)7-2)47(64)55(5)37(24-40(58)59)45(62)52-35(43(48)60)21-29-13-9-8-10-14-29/h8-20,25,27-28,35-37,41-42,49H,6-7,21-24,26H2,1-5H3,(H2,48,60)(H,50,63)(H,51,57)(H,52,62)(H,53,56)(H,54,61)(H,58,59)(H,65,66,67)/t27-,28-,35-,36-,37-,41-,42-/m0/s1
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0.240n/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)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.410n/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)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.410n/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)


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


(RAT)
BDBM50369325
PNG
(CHEMBL1791005)
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]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-6-8-17-36(52-40(57)24-31-19-21-33(22-20-31)69-70(66,67)68)45(62)51-28-41(58)53-37(25-32-27-50-35-18-13-12-16-34(32)35)46(63)54-43(29(3)7-2)48(65)56(5)39(26-42(59)60)47(64)55(4)38(44(49)61)23-30-14-10-9-11-15-30/h9-16,18-22,27,29,36-39,43,50H,6-8,17,23-26,28H2,1-5H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,59,60)(H,66,67,68)/t29-,36-,37-,38-,39-,43-/m0/s1
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0.530n/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)
BDBM50061834
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[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](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36+,37-/m0/s1
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0.980n/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)
BDBM50089276
PNG
(CHEMBL430608 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)
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0.980n/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)


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


(RAT)
BDBM50061832
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[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](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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1.30n/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
HIV-1 protease


(Human immunodeficiency virus)
BDBM93250
PNG
(HIV-1 Protease Inhibitor, 7g)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C48H60N6O10/c1-29(2)37(45(59)49-5)53-47(61)41(63-27-33-19-13-21-35(23-33)43(57)51-25-31-15-9-7-10-16-31)39(55)40(56)42(48(62)54-38(30(3)4)46(60)50-6)64-28-34-20-14-22-36(24-34)44(58)52-26-32-17-11-8-12-18-32/h7-24,29-30,37-42,55-56H,25-28H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t37-,38-,39+,40+,41+,42+/m0/s1
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2n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93250
PNG
(HIV-1 Protease Inhibitor, 7g)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C48H60N6O10/c1-29(2)37(45(59)49-5)53-47(61)41(63-27-33-19-13-21-35(23-33)43(57)51-25-31-15-9-7-10-16-31)39(55)40(56)42(48(62)54-38(30(3)4)46(60)50-6)64-28-34-20-14-22-36(24-34)44(58)52-26-32-17-11-8-12-18-32/h7-24,29-30,37-42,55-56H,25-28H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t37-,38-,39+,40+,41+,42+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93245
PNG
(HIV-1 Protease Inhibitor, 7b)
Show SMILES CCCCNC(=O)c1cccc(CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2cccc(c2)C(=O)NCCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)c1 |r|
Show InChI InChI=1S/C42H64N6O10/c1-9-11-19-45-37(51)29-17-13-15-27(21-29)23-57-35(41(55)47-31(25(3)4)39(53)43-7)33(49)34(50)36(42(56)48-32(26(5)6)40(54)44-8)58-24-28-16-14-18-30(22-28)38(52)46-20-12-10-2/h13-18,21-22,25-26,31-36,49-50H,9-12,19-20,23-24H2,1-8H3,(H,43,53)(H,44,54)(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t31-,32-,33+,34+,35+,36+/m0/s1
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3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089275
PNG
(CHEMBL384303 | 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)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H67N9O12/c1-3-4-15-43(61-49(69)30-37-20-25-40(67)26-21-37)53(74)60-34-50(70)62-45(31-38-33-59-42-16-9-8-14-41(38)42)55(76)63-44(17-10-11-28-58-48(68)27-22-35-18-23-39(66)24-19-35)54(75)64-46(32-51(71)72)56(77)65(2)47(52(57)73)29-36-12-6-5-7-13-36/h5-9,12-14,16,18-27,33,43-47,59,66-67H,3-4,10-11,15,17,28-32,34H2,1-2H3,(H2,57,73)(H,58,68)(H,60,74)(H,61,69)(H,62,70)(H,63,76)(H,64,75)(H,71,72)/b27-22+
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3.40n/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)


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


(RAT)
BDBM50089277
PNG
(CHEMBL311187 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-({...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCC)C(=O)N(C)C(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O10/c1-4-6-16-35(51-40(57)24-30-19-21-32(56)22-20-30)44(62)50-28-41(58)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(63)53-36(17-7-5-2)47(65)55(3)39(26-42(59)60)46(64)54-37(43(48)61)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49,56H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,63)(H,54,64)(H,59,60)
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4.20n/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)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93241
PNG
(HIV-1 Protease Inhibitor, 6l)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccc(Cl)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H54Cl2N6O10/c1-25(2)35(43(59)49-5)53-45(61)39(63-23-27-13-7-9-19-33(27)41(57)51-31-17-11-15-29(47)21-31)37(55)38(56)40(46(62)54-36(26(3)4)44(60)50-6)64-24-28-14-8-10-20-34(28)42(58)52-32-18-12-16-30(48)22-32/h7-22,25-26,35-40,55-56H,23-24H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t35-,36-,37+,38+,39+,40+/m0/s1
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6n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93245
PNG
(HIV-1 Protease Inhibitor, 7b)
Show SMILES CCCCNC(=O)c1cccc(CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2cccc(c2)C(=O)NCCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)c1 |r|
Show InChI InChI=1S/C42H64N6O10/c1-9-11-19-45-37(51)29-17-13-15-27(21-29)23-57-35(41(55)47-31(25(3)4)39(53)43-7)33(49)34(50)36(42(56)48-32(26(5)6)40(54)44-8)58-24-28-16-14-18-30(22-28)38(52)46-20-12-10-2/h13-18,21-22,25-26,31-36,49-50H,9-12,19-20,23-24H2,1-8H3,(H,43,53)(H,44,54)(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t31-,32-,33+,34+,35+,36+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93249
PNG
(HIV-1 Protease Inhibitor, 7f)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)Nc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H56N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-15-13-17-31(23-29)41(55)49-33-19-9-7-10-20-33)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-16-14-18-32(24-30)42(56)50-34-21-11-8-12-22-34/h7-24,27-28,35-40,53-54H,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1
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7n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93237
PNG
(HIV-1 Protease Inhibitor, 6h)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H56N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h7-24,27-28,35-40,53-54H,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1
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7n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93241
PNG
(HIV-1 Protease Inhibitor, 6l)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccc(Cl)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H54Cl2N6O10/c1-25(2)35(43(59)49-5)53-45(61)39(63-23-27-13-7-9-19-33(27)41(57)51-31-17-11-15-29(47)21-31)37(55)38(56)40(46(62)54-36(26(3)4)44(60)50-6)64-24-28-14-8-10-20-34(28)42(58)52-32-18-12-16-30(48)22-32/h7-22,25-26,35-40,55-56H,23-24H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t35-,36-,37+,38+,39+,40+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089272
PNG
(CHEMBL312359 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)
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19n/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)


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


(RAT)
BDBM50061830
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[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](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)/t32-,33-,34-,35-,36+/m0/s1
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19n/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
HIV-1 protease


(Human immunodeficiency virus)
BDBM93248
PNG
(HIV-1 Protease Inhibitor, 7e)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-15-13-17-31(23-29)41(55)49-33-19-9-7-10-20-33)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-16-14-18-32(24-30)42(56)50-34-21-11-8-12-22-34/h13-18,23-24,27-28,33-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1
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20n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93237
PNG
(HIV-1 Protease Inhibitor, 6h)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H56N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h7-24,27-28,35-40,53-54H,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1
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20n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93244
PNG
(HIV-1 Protease Inhibitor, 7a)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NC)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C36H52N6O10/c1-19(2)25(33(47)39-7)41-35(49)29(51-17-21-11-9-13-23(15-21)31(45)37-5)27(43)28(44)30(36(50)42-26(20(3)4)34(48)40-8)52-18-22-12-10-14-24(16-22)32(46)38-6/h9-16,19-20,25-30,43-44H,17-18H2,1-8H3,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50)/t25-,26-,27+,28+,29+,30+/m0/s1
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20n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50089275
PNG
(CHEMBL384303 | 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)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H67N9O12/c1-3-4-15-43(61-49(69)30-37-20-25-40(67)26-21-37)53(74)60-34-50(70)62-45(31-38-33-59-42-16-9-8-14-41(38)42)55(76)63-44(17-10-11-28-58-48(68)27-22-35-18-23-39(66)24-19-35)54(75)64-46(32-51(71)72)56(77)65(2)47(52(57)73)29-36-12-6-5-7-13-36/h5-9,12-14,16,18-27,33,43-47,59,66-67H,3-4,10-11,15,17,28-32,34H2,1-2H3,(H2,57,73)(H,58,68)(H,60,74)(H,61,69)(H,62,70)(H,63,76)(H,64,75)(H,71,72)/b27-22+
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36n/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)


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


(RAT)
BDBM50089270
PNG
(CHEMBL308622 | 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(CCCC)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O10/c1-4-6-16-35(51-40(57)24-30-19-21-32(56)22-20-30)44(62)50-28-41(58)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(64)53-36(17-7-5-2)45(63)54-38(26-42(59)60)47(65)55(3)39(43(48)61)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49,56H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,63)(H,59,60)
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51n/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)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93238
PNG
(HIV-1 Protease Inhibitor, 6i)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C44H54N8O10/c1-25(2)33(41(57)45-5)51-43(59)37(61-23-27-13-7-9-17-31(27)39(55)49-29-15-11-19-47-21-29)35(53)36(54)38(44(60)52-34(26(3)4)42(58)46-6)62-24-28-14-8-10-18-32(28)40(56)50-30-16-12-20-48-22-30/h7-22,25-26,33-38,53-54H,23-24H2,1-6H3,(H,45,57)(H,46,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t33-,34-,35+,36+,37+,38+/m0/s1
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70n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50089276
PNG
(CHEMBL430608 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)
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84n/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)


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


(RAT)
BDBM50061834
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[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](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36+,37-/m0/s1
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84n/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
HIV-1 protease


(Human immunodeficiency virus)
BDBM93238
PNG
(HIV-1 Protease Inhibitor, 6i)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C44H54N8O10/c1-25(2)33(41(57)45-5)51-43(59)37(61-23-27-13-7-9-17-31(27)39(55)49-29-15-11-19-47-21-29)35(53)36(54)38(44(60)52-34(26(3)4)42(58)46-6)62-24-28-14-8-10-18-32(28)40(56)50-30-16-12-20-48-22-30/h7-22,25-26,33-38,53-54H,23-24H2,1-6H3,(H,45,57)(H,46,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t33-,34-,35+,36+,37+,38+/m0/s1
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118n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50089269
PNG
(CHEMBL276192 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(OS(O)(=O)=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/C56H68N10O15S/c1-4-5-20-42(61-47(67)29-36-23-25-38(26-24-36)81-82(78,79)80)52(73)60-33-48(68)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(75)63-43(22-13-14-27-58-56(77)65-51(72)39-18-10-9-15-34(39)2)53(74)64-45(31-49(69)70)55(76)66(3)46(50(57)71)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,71)(H,60,73)(H,61,67)(H,62,68)(H,63,75)(H,64,74)(H,69,70)(H,78,79,80)(H2,58,65,72,77)
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123n/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)


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


(RAT)
BDBM50089272
PNG
(CHEMBL312359 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)
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150n/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)


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


(RAT)
BDBM50061830
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[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](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)/t32-,33-,34-,35-,36+/m0/s1
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150n/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
HIV-1 protease


(Human immunodeficiency virus)
BDBM93235
PNG
(HIV-1 Protease Inhibitor, 6f)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h13-18,23-24,27-28,31-32,35-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1
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196n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93240
PNG
(HIV-1 Protease Inhibitor, 6k)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccccc2CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2ccccc2C(=O)Nc2ccc(cc2)C(=O)OCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)cc1 |r|
Show InChI InChI=1S/C52H64N6O14/c1-9-69-51(67)31-19-23-35(24-20-31)55-45(61)37-17-13-11-15-33(37)27-71-43(49(65)57-39(29(3)4)47(63)53-7)41(59)42(60)44(50(66)58-40(30(5)6)48(64)54-8)72-28-34-16-12-14-18-38(34)46(62)56-36-25-21-32(22-26-36)52(68)70-10-2/h11-26,29-30,39-44,59-60H,9-10,27-28H2,1-8H3,(H,53,63)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,58,66)/t39-,40-,41+,42+,43+,44+/m0/s1
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200n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93235
PNG
(HIV-1 Protease Inhibitor, 6f)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h13-18,23-24,27-28,31-32,35-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1
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200n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93246
PNG
(HIV-1 Protease Inhibitor, 7c)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)N1CCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)N1CCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C42H60N6O10/c1-25(2)31(37(51)43-5)45-39(53)35(57-23-27-13-11-15-29(21-27)41(55)47-17-7-8-18-47)33(49)34(50)36(40(54)46-32(26(3)4)38(52)44-6)58-24-28-14-12-16-30(22-28)42(56)48-19-9-10-20-48/h11-16,21-22,25-26,31-36,49-50H,7-10,17-20,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t31-,32-,33+,34+,35+,36+/m0/s1
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200n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
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)


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)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93247
PNG
(HIV-1 Protease Inhibitor, 7d)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)N1CCOCC1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)N1CCOCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C42H60N6O12/c1-25(2)31(37(51)43-5)45-39(53)35(59-23-27-9-7-11-29(21-27)41(55)47-13-17-57-18-14-47)33(49)34(50)36(40(54)46-32(26(3)4)38(52)44-6)60-24-28-10-8-12-30(22-28)42(56)48-15-19-58-20-16-48/h7-12,21-22,25-26,31-36,49-50H,13-20,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t31-,32-,33+,34+,35+,36+/m0/s1
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300n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93233
PNG
(HIV-1 Protease Inhibitor, 6d)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)N1CCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)N1CCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C42H60N6O10/c1-25(2)31(37(51)43-5)45-39(53)35(57-23-27-15-7-9-17-29(27)41(55)47-19-11-12-20-47)33(49)34(50)36(40(54)46-32(26(3)4)38(52)44-6)58-24-28-16-8-10-18-30(28)42(56)48-21-13-14-22-48/h7-10,15-18,25-26,31-36,49-50H,11-14,19-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t31-,32-,33+,34+,35+,36+/m0/s1
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400n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
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
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