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Compile Data Set for Download or QSAR

Found 12 hits of ph data with Target = 'G-protein Coupled Receptor 54'   
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
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26338
PNG
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H51FN10O6/c1-24(2)19-33(49-35(53)23-48-38(56)34(20-25-9-4-3-5-10-25)52-37(55)26-14-16-28(42)17-15-26)40(58)50-31(13-8-18-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,47H,8,13,18-21,23H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/m0/s1
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n/an/a 0.710n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26339
PNG
((2R,3E)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carba...)
Show SMILES CC(C)C[C@H](\C=C\CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H52FN9O5/c1-26(2)22-29(12-8-20-47-40(56)36(23-27-10-4-3-5-11-27)52-38(54)28-16-18-31(43)19-17-28)39(55)50-34(15-9-21-48-42(45)46)41(57)51-35(37(44)53)24-30-25-49-33-14-7-6-13-32(30)33/h3-8,10-14,16-19,25-26,29,34-36,49H,9,15,20-24H2,1-2H3,(H2,44,53)(H,47,56)(H,50,55)(H,51,57)(H,52,54)(H4,45,46,48)/b12-8+/t29-,34-,35-,36-/m0/s1
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n/an/a 0.120n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26340
PNG
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CC(C)C[C@H](CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H54FN9O5/c1-26(2)22-29(12-8-20-47-40(56)36(23-27-10-4-3-5-11-27)52-38(54)28-16-18-31(43)19-17-28)39(55)50-34(15-9-21-48-42(45)46)41(57)51-35(37(44)53)24-30-25-49-33-14-7-6-13-32(30)33/h3-7,10-11,13-14,16-19,25-26,29,34-36,49H,8-9,12,15,20-24H2,1-2H3,(H2,44,53)(H,47,56)(H,50,55)(H,51,57)(H,52,54)(H4,45,46,48)/t29-,34-,35-,36-/m0/s1
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n/an/a 1.20n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26341
PNG
((2E)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CC(C)C\C(=C/CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H52FN9O5/c1-26(2)22-29(12-8-20-47-40(56)36(23-27-10-4-3-5-11-27)52-38(54)28-16-18-31(43)19-17-28)39(55)50-34(15-9-21-48-42(45)46)41(57)51-35(37(44)53)24-30-25-49-33-14-7-6-13-32(30)33/h3-7,10-14,16-19,25-26,34-36,49H,8-9,15,20-24H2,1-2H3,(H2,44,53)(H,47,56)(H,50,55)(H,51,57)(H,52,54)(H4,45,46,48)/b29-12+/t34-,35-,36-/m0/s1
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n/an/a 4.60n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26342
PNG
((2E,4R)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carba...)
Show SMILES CC(C)C\C(=C/[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H52FN9O6/c1-25(2)19-28(21-31(53)24-49-40(57)36(20-26-9-4-3-5-10-26)52-38(55)27-14-16-30(43)17-15-27)39(56)50-34(13-8-18-47-42(45)46)41(58)51-35(37(44)54)22-29-23-48-33-12-7-6-11-32(29)33/h3-7,9-12,14-17,21,23,25,31,34-36,48,53H,8,13,18-20,22,24H2,1-2H3,(H2,44,54)(H,49,57)(H,50,56)(H,51,58)(H,52,55)(H4,45,46,47)/b28-21+/t31-,34+,35+,36+/m1/s1
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n/an/a 32n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26349
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 0.120n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26344
PNG
((2S,4R)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carba...)
Show SMILES CC(C)C[C@@H](C[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H54FN9O6/c1-25(2)19-28(21-31(53)24-49-40(57)36(20-26-9-4-3-5-10-26)52-38(55)27-14-16-30(43)17-15-27)39(56)50-34(13-8-18-47-42(45)46)41(58)51-35(37(44)54)22-29-23-48-33-12-7-6-11-32(29)33/h3-7,9-12,14-17,23,25,28,31,34-36,48,53H,8,13,18-22,24H2,1-2H3,(H2,44,54)(H,49,57)(H,50,56)(H,51,58)(H,52,55)(H4,45,46,47)/t28-,31+,34-,35-,36-/m0/s1
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n/an/a 380n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26345
PNG
((2R,4R)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carba...)
Show SMILES CC(C)C[C@H](C[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H54FN9O6/c1-25(2)19-28(21-31(53)24-49-40(57)36(20-26-9-4-3-5-10-26)52-38(55)27-14-16-30(43)17-15-27)39(56)50-34(13-8-18-47-42(45)46)41(58)51-35(37(44)54)22-29-23-48-33-12-7-6-11-32(29)33/h3-7,9-12,14-17,23,25,28,31,34-36,48,53H,8,13,18-22,24H2,1-2H3,(H2,44,54)(H,49,57)(H,50,56)(H,51,58)(H,52,55)(H4,45,46,47)/t28-,31-,34+,35+,36+/m1/s1
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n/an/a 5.70n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26346
PNG
((2S,4S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carba...)
Show SMILES CC(C)C[C@@H](C[C@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H54FN9O6/c1-25(2)19-28(21-31(53)24-49-40(57)36(20-26-9-4-3-5-10-26)52-38(55)27-14-16-30(43)17-15-27)39(56)50-34(13-8-18-47-42(45)46)41(58)51-35(37(44)54)22-29-23-48-33-12-7-6-11-32(29)33/h3-7,9-12,14-17,23,25,28,31,34-36,48,53H,8,13,18-22,24H2,1-2H3,(H2,44,54)(H,49,57)(H,50,56)(H,51,58)(H,52,55)(H4,45,46,47)/t28-,31-,34-,35-,36-/m0/s1
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n/an/a 32n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26347
PNG
((2R,4S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carba...)
Show SMILES CC(C)C[C@H](C[C@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H54FN9O6/c1-25(2)19-28(21-31(53)24-49-40(57)36(20-26-9-4-3-5-10-26)52-38(55)27-14-16-30(43)17-15-27)39(56)50-34(13-8-18-47-42(45)46)41(58)51-35(37(44)54)22-29-23-48-33-12-7-6-11-32(29)33/h3-7,9-12,14-17,23,25,28,31,34-36,48,53H,8,13,18-22,24H2,1-2H3,(H2,44,54)(H,49,57)(H,50,56)(H,51,58)(H,52,55)(H4,45,46,47)/t28-,31+,34+,35+,36+/m1/s1
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n/an/a 0.240n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26348
PNG
((2R)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H51FN10O6/c1-24(2)19-33(49-35(53)23-48-38(56)34(20-25-9-4-3-5-10-25)52-37(55)26-14-16-28(42)17-15-26)40(58)50-31(13-8-18-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,47H,8,13,18-21,23H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33+,34-/m0/s1
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n/an/a 240n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26343
PNG
((2E,4S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carba...)
Show SMILES CC(C)C\C(=C/[C@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H52FN9O6/c1-25(2)19-28(21-31(53)24-49-40(57)36(20-26-9-4-3-5-10-26)52-38(55)27-14-16-30(43)17-15-27)39(56)50-34(13-8-18-47-42(45)46)41(58)51-35(37(44)54)22-29-23-48-33-12-7-6-11-32(29)33/h3-7,9-12,14-17,21,23,25,31,34-36,48,53H,8,13,18-20,22,24H2,1-2H3,(H2,44,54)(H,49,57)(H,50,56)(H,51,58)(H,52,55)(H4,45,46,47)/b28-21+/t31-,34-,35-,36-/m0/s1
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n/an/a 460n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
More data for this
Ligand-Target Pair