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Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'suzuki' and Initial = 'a'   
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))
BDBM50045514
PNG
(CHEMBL3315315)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C65H84N18O14/c1-34(2)23-47(60(93)77-45(17-10-22-72-65(70)71)59(92)78-46(56(69)89)26-37-30-73-43-15-8-6-13-40(37)43)76-55(88)32-75-58(91)48(25-35-11-4-3-5-12-35)80-64(97)52(33-84)83-63(96)51(29-54(68)87)82-61(94)49(27-38-31-74-44-16-9-7-14-41(38)44)81-62(95)50(28-53(67)86)79-57(90)42(66)24-36-18-20-39(85)21-19-36/h3-9,11-16,18-21,30-31,34,42,45-52,73-74,84-85H,10,17,22-29,32-33,66H2,1-2H3,(H2,67,86)(H2,68,87)(H2,69,89)(H,75,91)(H,76,88)(H,77,93)(H,78,92)(H,79,90)(H,80,97)(H,81,95)(H,82,94)(H,83,96)(H4,70,71,72)/t42-,45-,46-,47-,48-,49-,50-,51-,52-/s2
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0.0260n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045510
PNG
(CHEMBL3314227)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C69H85N17O13/c1-38(2)30-52(62(93)77-50(24-15-29-74-68(72)73-4)61(92)78-51(59(71)90)33-43-36-75-48-22-13-11-20-46(43)48)83-69(99)86-85-66(97)54(31-40-16-7-5-8-17-40)82-67(98)58(39(3)87)84-65(96)56(35-57(70)89)81-64(95)55(34-44-37-76-49-23-14-12-21-47(44)49)80-63(94)53(32-41-25-27-45(88)28-26-41)79-60(91)42-18-9-6-10-19-42/h5-14,16-23,25-28,36-39,50-56,58,75-76,87-88H,15,24,29-35H2,1-4H3,(H2,70,89)(H2,71,90)(H,77,93)(H,78,92)(H,79,91)(H,80,94)(H,81,95)(H,82,98)(H,84,96)(H,85,97)(H3,72,73,74)(H2,83,86,99)/t39-,50+,51+,52+,53-,54+,55-,56+,58+/s2
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0.0270n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045500
PNG
(CHEMBL3314217)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C63H83N17O11/c1-34(2)26-48(57(86)72-46(20-13-25-69-62(67)68-5)56(85)73-47(54(66)83)29-38-32-70-44-18-11-9-16-41(38)44)77-63(91)80-79-60(89)49(28-36-14-7-6-8-15-36)76-61(90)53(35(3)4)78-59(88)51(31-52(65)82)75-58(87)50(30-39-33-71-45-19-12-10-17-42(39)45)74-55(84)43(64)27-37-21-23-40(81)24-22-37/h6-12,14-19,21-24,32-35,43,46-51,53,70-71,81H,13,20,25-31,64H2,1-5H3,(H2,65,82)(H2,66,83)(H,72,86)(H,73,85)(H,74,84)(H,75,87)(H,76,90)(H,78,88)(H,79,89)(H3,67,68,69)(H2,77,80,91)/t43-,46+,47+,48+,49+,50-,51+,53+/s2
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0.0280n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045509
PNG
(CHEMBL3314226)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CC1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C66H85N17O13/c1-35(2)27-49(59(90)74-47(19-12-26-71-65(69)70-4)58(89)75-48(56(68)87)30-40-33-72-45-17-10-8-15-43(40)45)80-66(96)83-82-63(94)51(28-37-13-6-5-7-14-37)79-64(95)55(36(3)84)81-62(93)53(32-54(67)86)78-61(92)52(31-41-34-73-46-18-11-9-16-44(41)46)77-60(91)50(76-57(88)39-22-23-39)29-38-20-24-42(85)25-21-38/h5-11,13-18,20-21,24-25,33-36,39,47-53,55,72-73,84-85H,12,19,22-23,26-32H2,1-4H3,(H2,67,86)(H2,68,87)(H,74,90)(H,75,89)(H,76,88)(H,77,91)(H,78,92)(H,79,95)(H,81,93)(H,82,94)(H3,69,70,71)(H2,80,83,96)/t36-,47+,48+,49+,50-,51+,52-,53+,55+/s2
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0.0340n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045513
PNG
(KISSPEPTIN-10 | Kisspeptin-10)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/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-/s2
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0.0350n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045499
PNG
(CHEMBL3314216)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C62H81N17O12/c1-33(2)25-47(56(86)71-45(19-12-24-68-61(66)67-4)55(85)72-46(53(65)83)28-37-31-69-43-17-10-8-15-40(37)43)76-62(91)79-78-59(89)48(27-35-13-6-5-7-14-35)75-60(90)52(34(3)80)77-58(88)50(30-51(64)82)74-57(87)49(29-38-32-70-44-18-11-9-16-41(38)44)73-54(84)42(63)26-36-20-22-39(81)23-21-36/h5-11,13-18,20-23,31-34,42,45-50,52,69-70,80-81H,12,19,24-30,63H2,1-4H3,(H2,64,82)(H2,65,83)(H,71,86)(H,72,85)(H,73,84)(H,74,87)(H,75,90)(H,77,88)(H,78,89)(H3,66,67,68)(H2,76,79,91)/t34-,42-,45+,46+,47+,48+,49-,50+,52+/s2
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0.0360n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045507
PNG
(CHEMBL3314224)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C64H83N17O13/c1-34(2)26-48(57(88)73-46(20-13-25-69-63(67)68-5)56(87)74-47(55(66)86)29-39-32-70-44-18-11-9-16-42(39)44)78-64(94)81-80-61(92)50(27-37-14-7-6-8-15-37)77-62(93)54(35(3)82)79-60(91)52(31-53(65)85)76-59(90)51(30-40-33-71-45-19-12-10-17-43(40)45)75-58(89)49(72-36(4)83)28-38-21-23-41(84)24-22-38/h6-12,14-19,21-24,32-35,46-52,54,70-71,82,84H,13,20,25-31H2,1-5H3,(H2,65,85)(H2,66,86)(H,72,83)(H,73,88)(H,74,87)(H,75,89)(H,76,90)(H,77,93)(H,79,91)(H,80,92)(H3,67,68,69)(H2,78,81,94)/t35-,46+,47+,48+,49-,50+,51-,52+,54+/s2
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0.0360n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045498
PNG
(CHEMBL3314215)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=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](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C61H79N17O12/c1-33(2)24-46(55(85)70-44(18-11-23-67-60(65)66-3)54(84)71-45(52(64)82)27-36-30-68-42-16-9-7-14-39(36)42)76-61(90)78-77-59(89)47(26-34-12-5-4-6-13-34)73-58(88)50(32-79)75-57(87)49(29-51(63)81)74-56(86)48(28-37-31-69-43-17-10-8-15-40(37)43)72-53(83)41(62)25-35-19-21-38(80)22-20-35/h4-10,12-17,19-22,30-31,33,41,44-50,68-69,79-80H,11,18,23-29,32,62H2,1-3H3,(H2,63,81)(H2,64,82)(H,70,85)(H,71,84)(H,72,83)(H,73,88)(H,74,86)(H,75,87)(H,77,89)(H3,65,66,67)(H2,76,78,90)/t41-,44+,45+,46+,47+,48-,49+,50+/s2
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0.0370n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045512
PNG
(CHEMBL3314229)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C62H82N16O13/c1-34(2)27-46(55(85)70-44(21-14-26-67-61(65)66-5)54(84)71-45(53(64)83)28-37-15-8-6-9-16-37)75-62(91)78-77-59(89)48(29-38-17-10-7-11-18-38)74-60(90)52(35(3)79)76-58(88)50(32-51(63)82)73-57(87)49(31-40-33-68-43-20-13-12-19-42(40)43)72-56(86)47(69-36(4)80)30-39-22-24-41(81)25-23-39/h6-13,15-20,22-25,33-35,44-50,52,68,79,81H,14,21,26-32H2,1-5H3,(H2,63,82)(H2,64,83)(H,69,80)(H,70,85)(H,71,84)(H,72,86)(H,73,87)(H,74,90)(H,76,88)(H,77,89)(H3,65,66,67)(H2,75,78,91)/t35-,44+,45+,46+,47-,48+,49-,50+,52+/s2
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0.0380n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045506
PNG
(CHEMBL3314223)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C62H80N16O12/c1-34(2)27-47(56(85)71-45(19-12-26-67-61(65)66-4)55(84)72-46(54(64)83)29-38-32-68-43-17-10-8-15-41(38)43)75-62(90)78-77-59(88)48(28-37-13-6-5-7-14-37)74-60(89)53(35(3)79)76-58(87)50(31-51(63)81)73-57(86)49(30-39-33-69-44-18-11-9-16-42(39)44)70-52(82)25-22-36-20-23-40(80)24-21-36/h5-11,13-18,20-21,23-24,32-35,45-50,53,68-69,79-80H,12,19,22,25-31H2,1-4H3,(H2,63,81)(H2,64,83)(H,70,82)(H,71,85)(H,72,84)(H,73,86)(H,74,89)(H,76,87)(H,77,88)(H3,65,66,67)(H2,75,78,90)/t35-,45+,46+,47+,48+,49-,50+,53+/s2
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0.0390n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045517
PNG
(CHEMBL3314209)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C60H81N17O11/c1-33(2)26-45(54(83)69-43(16-11-23-67-59(64)65-5)53(82)70-44(51(63)80)30-38-32-68-42-15-10-9-14-40(38)42)74-60(88)77-76-57(86)47(28-35-12-7-6-8-13-35)73-58(87)50(34(3)4)75-56(85)48(31-49(62)79)72-55(84)46(29-37-21-24-66-25-22-37)71-52(81)41(61)27-36-17-19-39(78)20-18-36/h6-10,12-15,17-22,24-25,32-34,41,43-48,50,68,78H,11,16,23,26-31,61H2,1-5H3,(H2,62,79)(H2,63,80)(H,69,83)(H,70,82)(H,71,81)(H,72,84)(H,73,87)(H,75,85)(H,76,86)(H3,64,65,67)(H2,74,77,88)/t41-,43+,44+,45+,46-,47+,48+,50+/s2
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0.0520n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045507
PNG
(CHEMBL3314224)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C64H83N17O13/c1-34(2)26-48(57(88)73-46(20-13-25-69-63(67)68-5)56(87)74-47(55(66)86)29-39-32-70-44-18-11-9-16-42(39)44)78-64(94)81-80-61(92)50(27-37-14-7-6-8-15-37)77-62(93)54(35(3)82)79-60(91)52(31-53(65)85)76-59(90)51(30-40-33-71-45-19-12-10-17-43(40)45)75-58(89)49(72-36(4)83)28-38-21-23-41(84)24-22-38/h6-12,14-19,21-24,32-35,46-52,54,70-71,82,84H,13,20,25-31H2,1-5H3,(H2,65,85)(H2,66,86)(H,72,83)(H,73,88)(H,74,87)(H,75,89)(H,76,90)(H,77,93)(H,79,91)(H,80,92)(H3,67,68,69)(H2,78,81,94)/t35-,46+,47+,48+,49-,50+,51-,52+,54+/s2
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0.0690n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045515
PNG
(CHEMBL3314207)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C58H77N17O12/c1-32(2)24-43(52(82)67-41(14-9-21-65-57(62)63-3)51(81)68-42(49(61)79)28-36-30-66-40-13-8-7-12-38(36)40)73-58(87)75-74-56(86)45(26-33-10-5-4-6-11-33)70-55(85)47(31-76)72-54(84)46(29-48(60)78)71-53(83)44(27-35-19-22-64-23-20-35)69-50(80)39(59)25-34-15-17-37(77)18-16-34/h4-8,10-13,15-20,22-23,30,32,39,41-47,66,76-77H,9,14,21,24-29,31,59H2,1-3H3,(H2,60,78)(H2,61,79)(H,67,82)(H,68,81)(H,69,80)(H,70,85)(H,71,83)(H,72,84)(H,74,86)(H3,62,63,65)(H2,73,75,87)/t39-,41+,42+,43+,44-,45+,46+,47+/s2
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0.0740n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045498
PNG
(CHEMBL3314215)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=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](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C61H79N17O12/c1-33(2)24-46(55(85)70-44(18-11-23-67-60(65)66-3)54(84)71-45(52(64)82)27-36-30-68-42-16-9-7-14-39(36)42)76-61(90)78-77-59(89)47(26-34-12-5-4-6-13-34)73-58(88)50(32-79)75-57(87)49(29-51(63)81)74-56(86)48(28-37-31-69-43-17-10-8-15-40(37)43)72-53(83)41(62)25-35-19-21-38(80)22-20-35/h4-10,12-17,19-22,30-31,33,41,44-50,68-69,79-80H,11,18,23-29,32,62H2,1-3H3,(H2,63,81)(H2,64,82)(H,70,85)(H,71,84)(H,72,83)(H,73,88)(H,74,86)(H,75,87)(H,77,89)(H3,65,66,67)(H2,76,78,90)/t41-,44+,45+,46+,47+,48-,49+,50+/s2
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0.0770n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045516
PNG
(CHEMBL3314208)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C59H79N17O12/c1-32(2)25-44(53(83)68-42(15-10-22-66-58(63)64-4)52(82)69-43(50(62)80)29-37-31-67-41-14-9-8-13-39(37)41)73-59(88)76-75-56(86)46(27-34-11-6-5-7-12-34)72-57(87)49(33(3)77)74-55(85)47(30-48(61)79)71-54(84)45(28-36-20-23-65-24-21-36)70-51(81)40(60)26-35-16-18-38(78)19-17-35/h5-9,11-14,16-21,23-24,31-33,40,42-47,49,67,77-78H,10,15,22,25-30,60H2,1-4H3,(H2,61,79)(H2,62,80)(H,68,83)(H,69,82)(H,70,81)(H,71,84)(H,72,87)(H,74,85)(H,75,86)(H3,63,64,66)(H2,73,76,88)/t33-,40-,42+,43+,44+,45-,46+,47+,49+/s2
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0.0860n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045512
PNG
(CHEMBL3314229)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C62H82N16O13/c1-34(2)27-46(55(85)70-44(21-14-26-67-61(65)66-5)54(84)71-45(53(64)83)28-37-15-8-6-9-16-37)75-62(91)78-77-59(89)48(29-38-17-10-7-11-18-38)74-60(90)52(35(3)79)76-58(88)50(32-51(63)82)73-57(87)49(31-40-33-68-43-20-13-12-19-42(40)43)72-56(86)47(69-36(4)80)30-39-22-24-41(81)25-23-39/h6-13,15-20,22-25,33-35,44-50,52,68,79,81H,14,21,26-32H2,1-5H3,(H2,63,82)(H2,64,83)(H,69,80)(H,70,85)(H,71,84)(H,72,86)(H,73,87)(H,74,90)(H,76,88)(H,77,89)(H3,65,66,67)(H2,75,78,91)/t35-,44+,45+,46+,47-,48+,49-,50+,52+/s2
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0.0870n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045509
PNG
(CHEMBL3314226)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CC1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C66H85N17O13/c1-35(2)27-49(59(90)74-47(19-12-26-71-65(69)70-4)58(89)75-48(56(68)87)30-40-33-72-45-17-10-8-15-43(40)45)80-66(96)83-82-63(94)51(28-37-13-6-5-7-14-37)79-64(95)55(36(3)84)81-62(93)53(32-54(67)86)78-61(92)52(31-41-34-73-46-18-11-9-16-44(41)46)77-60(91)50(76-57(88)39-22-23-39)29-38-20-24-42(85)25-21-38/h5-11,13-18,20-21,24-25,33-36,39,47-53,55,72-73,84-85H,12,19,22-23,26-32H2,1-4H3,(H2,67,86)(H2,68,87)(H,74,90)(H,75,89)(H,76,88)(H,77,91)(H,78,92)(H,79,95)(H,81,93)(H,82,94)(H3,69,70,71)(H2,80,83,96)/t36-,47+,48+,49+,50-,51+,52-,53+,55+/s2
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0.0870n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045513
PNG
(KISSPEPTIN-10 | Kisspeptin-10)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/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-/s2
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0.0880n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045511
PNG
(CHEMBL3314228)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C61H81N17O13/c1-33(2)26-45(54(85)70-43(16-11-23-67-60(64)65-5)53(84)71-44(52(63)83)30-39-32-68-42-15-10-9-14-41(39)42)75-61(91)78-77-58(89)48(27-36-12-7-6-8-13-36)74-59(90)51(34(3)79)76-57(88)49(31-50(62)82)73-56(87)47(29-38-21-24-66-25-22-38)72-55(86)46(69-35(4)80)28-37-17-19-40(81)20-18-37/h6-10,12-15,17-22,24-25,32-34,43-49,51,68,79,81H,11,16,23,26-31H2,1-5H3,(H2,62,82)(H2,63,83)(H,69,80)(H,70,85)(H,71,84)(H,72,86)(H,73,87)(H,74,90)(H,76,88)(H,77,89)(H3,64,65,67)(H2,75,78,91)/t34-,43+,44+,45+,46-,47-,48+,49+,51+/s2
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0.0890n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045518
PNG
(CHEMBL3314213)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C60H79N17O11/c1-34(2)27-45(54(83)69-43(15-9-23-67-59(64)65-3)53(82)70-44(51(63)80)31-38-33-68-42-14-8-7-13-40(38)42)74-60(88)76-75-56(85)47(29-35-11-5-4-6-12-35)72-57(86)49-16-10-26-77(49)58(87)48(32-50(62)79)73-55(84)46(30-37-21-24-66-25-22-37)71-52(81)41(61)28-36-17-19-39(78)20-18-36/h4-8,11-14,17-22,24-25,33-34,41,43-49,68,78H,9-10,15-16,23,26-32,61H2,1-3H3,(H2,62,79)(H2,63,80)(H,69,83)(H,70,82)(H,71,81)(H,72,86)(H,73,84)(H,75,85)(H3,64,65,67)(H2,74,76,88)/t41-,43+,44+,45+,46-,47+,48+,49+/s2
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0.0960n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50442961
PNG
(CHEMBL3086284)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C56H76N16O12/c1-32(2)25-41(50(79)64-39(15-10-22-63-55(60)61-3)49(78)65-40(47(59)76)27-33-11-6-4-7-12-33)70-56(84)72-71-54(83)43(28-34-13-8-5-9-14-34)67-53(82)45(31-73)69-52(81)44(30-46(58)75)68-51(80)42(29-36-20-23-62-24-21-36)66-48(77)38(57)26-35-16-18-37(74)19-17-35/h4-9,11-14,16-21,23-24,32,38-45,73-74H,10,15,22,25-31,57H2,1-3H3,(H2,58,75)(H2,59,76)(H,64,79)(H,65,78)(H,66,77)(H,67,82)(H,68,80)(H,69,81)(H,71,83)(H3,60,61,63)(H2,70,72,84)/t38-,39+,40+,41+,42-,43+,44+,45+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045508
PNG
(CHEMBL3314225)
Show SMILES CCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C66H87N17O13/c1-6-15-55(87)74-50(30-39-23-25-42(85)26-24-39)60(91)77-52(32-41-35-73-46-21-13-11-19-44(41)46)61(92)78-53(33-54(67)86)62(93)81-56(37(4)84)64(95)79-51(29-38-16-8-7-9-17-38)63(94)82-83-66(96)80-49(28-36(2)3)59(90)75-47(22-14-27-71-65(69)70-5)58(89)76-48(57(68)88)31-40-34-72-45-20-12-10-18-43(40)45/h7-13,16-21,23-26,34-37,47-53,56,72-73,84-85H,6,14-15,22,27-33H2,1-5H3,(H2,67,86)(H2,68,88)(H,74,87)(H,75,90)(H,76,89)(H,77,91)(H,78,92)(H,79,95)(H,81,93)(H,82,94)(H3,69,70,71)(H2,80,83,96)/t37-,47+,48+,49+,50-,51+,52-,53+,56+/s2
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0.110n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045505
PNG
(CHEMBL3314222)
Show SMILES CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C61H80N16O11/c1-5-43(69-57(85)50(30-38-32-68-45-19-12-10-17-41(38)45)72-53(81)42(62)27-36-21-23-39(79)24-22-36)54(82)74-51(33-78)58(86)73-49(28-35-14-7-6-8-15-35)59(87)76-77-61(88)75-48(26-34(2)3)56(84)70-46(20-13-25-66-60(64)65-4)55(83)71-47(52(63)80)29-37-31-67-44-18-11-9-16-40(37)44/h6-12,14-19,21-24,31-32,34,42-43,46-51,67-68,78-79H,5,13,20,25-30,33,62H2,1-4H3,(H2,63,80)(H,69,85)(H,70,84)(H,71,83)(H,72,81)(H,73,86)(H,74,82)(H,76,87)(H3,64,65,66)(H2,75,77,88)/t42-,43+,46+,47+,48+,49+,50-,51+/s2
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0.120n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045515
PNG
(CHEMBL3314207)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C58H77N17O12/c1-32(2)24-43(52(82)67-41(14-9-21-65-57(62)63-3)51(81)68-42(49(61)79)28-36-30-66-40-13-8-7-12-38(36)40)73-58(87)75-74-56(86)45(26-33-10-5-4-6-11-33)70-55(85)47(31-76)72-54(84)46(29-48(60)78)71-53(83)44(27-35-19-22-64-23-20-35)69-50(80)39(59)25-34-15-17-37(77)18-16-34/h4-8,10-13,15-20,22-23,30,32,39,41-47,66,76-77H,9,14,21,24-29,31,59H2,1-3H3,(H2,60,78)(H2,61,79)(H,67,82)(H,68,81)(H,69,80)(H,70,85)(H,71,83)(H,72,84)(H,74,86)(H3,62,63,65)(H2,73,75,87)/t39-,41+,42+,43+,44-,45+,46+,47+/s2
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0.130n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50442961
PNG
(CHEMBL3086284)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C56H76N16O12/c1-32(2)25-41(50(79)64-39(15-10-22-63-55(60)61-3)49(78)65-40(47(59)76)27-33-11-6-4-7-12-33)70-56(84)72-71-54(83)43(28-34-13-8-5-9-14-34)67-53(82)45(31-73)69-52(81)44(30-46(58)75)68-51(80)42(29-36-20-23-62-24-21-36)66-48(77)38(57)26-35-16-18-37(74)19-17-35/h4-9,11-14,16-21,23-24,32,38-45,73-74H,10,15,22,25-31,57H2,1-3H3,(H2,58,75)(H2,59,76)(H,64,79)(H,65,78)(H,66,77)(H,67,82)(H,68,80)(H,69,81)(H,71,83)(H3,60,61,63)(H2,70,72,84)/t38-,39+,40+,41+,42-,43+,44+,45+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045511
PNG
(CHEMBL3314228)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C61H81N17O13/c1-33(2)26-45(54(85)70-43(16-11-23-67-60(64)65-5)53(84)71-44(52(63)83)30-39-32-68-42-15-10-9-14-41(39)42)75-61(91)78-77-58(89)48(27-36-12-7-6-8-13-36)74-59(90)51(34(3)79)76-57(88)49(31-50(62)82)73-56(87)47(29-38-21-24-66-25-22-38)72-55(86)46(69-35(4)80)28-37-17-19-40(81)20-18-37/h6-10,12-15,17-22,24-25,32-34,43-49,51,68,79,81H,11,16,23,26-31H2,1-5H3,(H2,62,82)(H2,63,83)(H,69,80)(H,70,85)(H,71,84)(H,72,86)(H,73,87)(H,74,90)(H,76,88)(H,77,89)(H3,64,65,67)(H2,75,78,91)/t34-,43+,44+,45+,46-,47-,48+,49+,51+/s2
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0.170n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50045501
PNG
(CHEMBL3314218)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C57H76N16O11/c1-32(2)25-44(53(81)66-42(15-10-22-63-56(60)61-4)51(79)67-43(48(59)76)29-37-30-64-41-14-9-8-13-39(37)41)71-57(84)73-72-55(83)46(27-34-11-6-5-7-12-34)69-54(82)47(31-74)70-49(77)33(3)65-52(80)45(28-36-20-23-62-24-21-36)68-50(78)40(58)26-35-16-18-38(75)19-17-35/h5-9,11-14,16-21,23-24,30,32-33,40,42-47,64,74-75H,10,15,22,25-29,31,58H2,1-4H3,(H2,59,76)(H,65,80)(H,66,81)(H,67,79)(H,68,78)(H,69,82)(H,70,77)(H,72,83)(H3,60,61,63)(H2,71,73,84)/t33-,40+,42-,43-,44-,45+,46-,47-/s2
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0.200n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from human KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045505
PNG
(CHEMBL3314222)
Show SMILES CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C61H80N16O11/c1-5-43(69-57(85)50(30-38-32-68-45-19-12-10-17-41(38)45)72-53(81)42(62)27-36-21-23-39(79)24-22-36)54(82)74-51(33-78)58(86)73-49(28-35-14-7-6-8-15-35)59(87)76-77-61(88)75-48(26-34(2)3)56(84)70-46(20-13-25-66-60(64)65-4)55(83)71-47(52(63)80)29-37-31-67-44-18-11-9-16-40(37)44/h6-12,14-19,21-24,31-32,34,42-43,46-51,67-68,78-79H,5,13,20,25-30,33,62H2,1-4H3,(H2,63,80)(H,69,85)(H,70,84)(H,71,83)(H,72,81)(H,73,86)(H,74,82)(H,76,87)(H3,64,65,66)(H2,75,77,88)/t42-,43+,46+,47+,48+,49+,50-,51+/s2
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0.830n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045501
PNG
(CHEMBL3314218)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C57H76N16O11/c1-32(2)25-44(53(81)66-42(15-10-22-63-56(60)61-4)51(79)67-43(48(59)76)29-37-30-64-41-14-9-8-13-39(37)41)71-57(84)73-72-55(83)46(27-34-11-6-5-7-12-34)69-54(82)47(31-74)70-49(77)33(3)65-52(80)45(28-36-20-23-62-24-21-36)68-50(78)40(58)26-35-16-18-38(75)19-17-35/h5-9,11-14,16-21,23-24,30,32-33,40,42-47,64,74-75H,10,15,22,25-29,31,58H2,1-4H3,(H2,59,76)(H,65,80)(H,66,81)(H,67,79)(H,68,78)(H,69,82)(H,70,77)(H,72,83)(H3,60,61,63)(H2,71,73,84)/t33-,40+,42-,43-,44-,45+,46-,47-/s2
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3.60n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat KISS1R transfected in CHO cells


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129260
PNG
(CHEMBL3629735)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(CC3CC3)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C28H26FN5O3/c1-28(2)23-19(32(27(28)36)15-17-9-10-17)11-12-20(24(23)29)33-16-22(37-3)26(35)25(31-33)21-13-14-30-34(21)18-7-5-4-6-8-18/h4-8,11-14,16-17H,9-10,15H2,1-3H3
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n/an/a 0.0800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129262
PNG
(CHEMBL3627741)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C(C)C)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C27H26FN5O3/c1-16(2)32-18-11-12-19(23(28)22(18)27(3,4)26(32)35)31-15-21(36-5)25(34)24(30-31)20-13-14-29-33(20)17-9-7-6-8-10-17/h6-16H,1-5H3
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n/an/a 0.110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129261
PNG
(CHEMBL3629734)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C3CCC3)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C28H26FN5O3/c1-28(2)23-19(33(27(28)36)17-10-7-11-17)12-13-20(24(23)29)32-16-22(37-3)26(35)25(31-32)21-14-15-30-34(21)18-8-5-4-6-9-18/h4-6,8-9,12-17H,7,10-11H2,1-3H3
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n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129263
PNG
(CHEMBL3629733)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C)C(=O)C3(CCC3)c2c1F
Show InChI InChI=1S/C26H22FN5O3/c1-30-17-9-10-18(22(27)21(17)26(25(30)34)12-6-13-26)31-15-20(35-2)24(33)23(29-31)19-11-14-28-32(19)16-7-4-3-5-8-16/h3-5,7-11,14-15H,6,12-13H2,1-2H3
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129264
PNG
(CHEMBL3629732)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C25H22FN5O3/c1-25(2)20-16(29(3)24(25)33)10-11-17(21(20)26)30-14-19(34-4)23(32)22(28-30)18-12-13-27-31(18)15-8-6-5-7-9-15/h5-14H,1-4H3
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n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129265
PNG
(CHEMBL3629542)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCCC1
Show InChI InChI=1S/C24H22FN5O2/c1-32-22-16-29(20-10-9-18(15-19(20)25)28-13-5-6-14-28)27-23(24(22)31)21-11-12-26-30(21)17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3
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n/an/a 0.230n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129266
PNG
(CHEMBL3629541)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCCC1=O
Show InChI InChI=1S/C24H20FN5O3/c1-33-21-15-29(19-10-9-17(14-18(19)25)28-13-5-8-22(28)31)27-23(24(21)32)20-11-12-26-30(20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3
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n/an/a 0.790n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129267
PNG
(CHEMBL3629540)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCOC1=O
Show InChI InChI=1S/C23H18FN5O4/c1-32-20-14-28(18-8-7-16(13-17(18)24)27-11-12-33-23(27)31)26-21(22(20)30)19-9-10-25-29(19)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3
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n/an/a 0.940n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50377933
PNG
(CHEMBL1744354)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H17FN6O/c16-12-5-13(7-18)22(10-12)15(23)9-19-3-4-20-14-2-1-11(6-17)8-21-14/h1-2,8,12-13,19H,3-5,9-10H2,(H,20,21)/t12-,13-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242595
PNG
(CHEMBL487860 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccc2nn[nH]c2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C18H22FN7O2/c1-18(2,22-8-16(27)26-9-12(19)6-13(26)7-20)10-21-17(28)11-3-4-14-15(5-11)24-25-23-14/h3-5,12-13,22H,6,8-10H2,1-2H3,(H,21,28)(H,23,24,25)/t12-,13-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242577
PNG
(6-{[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl...)
Show SMILES NC(=O)c1ccc(NCCNCC(=O)N2C[C@@H](F)C[C@H]2C#N)nc1 |r|
Show InChI InChI=1S/C15H19FN6O2/c16-11-5-12(6-17)22(9-11)14(23)8-19-3-4-20-13-2-1-10(7-21-13)15(18)24/h1-2,7,11-12,19H,3-5,8-9H2,(H2,18,24)(H,20,21)/t11-,12-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242517
PNG
((2S,4S)-1-(N-Cyclopentylglycyl)-4-fluoropyrrolidin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCCC1 |r|
Show InChI InChI=1S/C12H18FN3O/c13-9-5-11(6-14)16(8-9)12(17)7-15-10-3-1-2-4-10/h9-11,15H,1-5,7-8H2/t9-,11-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242576
PNG
((2S,4S)-1-(N-{2-[(5-Chloropyridin-2-yl)amino]ethyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C14H17ClFN5O/c15-10-1-2-13(20-7-10)19-4-3-18-8-14(22)21-9-11(16)5-12(21)6-17/h1-2,7,11-12,18H,3-5,8-9H2,(H,19,20)/t11-,12-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242575
PNG
((2S,4S)-4-Fluoro-1-{N-[2-(pyridin-2-ylamino)ethyl]...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccccn1 |r|
Show InChI InChI=1S/C14H18FN5O/c15-11-7-12(8-16)20(10-11)14(21)9-17-5-6-19-13-3-1-2-4-18-13/h1-4,11-12,17H,5-7,9-10H2,(H,18,19)/t11-,12-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242593
PNG
(CHEMBL488036 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccc2OCCc2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C20H25FN4O3/c1-20(2,24-10-18(26)25-11-15(21)8-16(25)9-22)12-23-19(27)14-3-4-17-13(7-14)5-6-28-17/h3-4,7,15-16,24H,5-6,8,10-12H2,1-2H3,(H,23,27)/t15-,16-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242495
PNG
((2S,4S)-1-[N-(tert-Butyl)glycyl]-4-fluoropyrrolidi...)
Show SMILES CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C11H18FN3O/c1-11(2,3)14-6-10(16)15-7-8(12)4-9(15)5-13/h8-9,14H,4,6-7H2,1-3H3/t8-,9-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242530
PNG
((2S,4S)-1-(N-2-Adamantylglycyl)-4-fluoropyrrolidin...)
Show InChI InChI=1S/C17H24FN3O/c18-14-6-15(7-19)21(9-14)16(22)8-20-17-12-2-10-1-11(4-12)5-13(17)3-10/h10-15,17,20H,1-6,8-9H2/t10?,11?,12?,13?,14-,15-,17?/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242531
PNG
((2S,4S)-4-Fluoro-1-[N-(3-hydroxy-1-adamantyl)-glyc...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r,TLB:9:8:2.3.4:6,11:8:2:4.5.6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8|
Show InChI InChI=1S/C17H24FN3O2/c18-13-2-14(7-19)21(9-13)15(22)8-20-16-3-11-1-12(4-16)6-17(23,5-11)10-16/h11-14,20,23H,1-6,8-10H2/t11?,12?,13-,14-,16?,17?/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242516
PNG
((2S,4S)-1-(N-Cyclobutylglycyl)-4-fluoropyrrolidine...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCC1 |r|
Show InChI InChI=1S/C11H16FN3O/c12-8-4-10(5-13)15(7-8)11(16)6-14-9-2-1-3-9/h8-10,14H,1-4,6-7H2/t8-,10-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242519
PNG
((2S,4S)-1-(N-Cyclooctylglycyl)-4-fluoropyrrolidine...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCCCCCC1 |r|
Show InChI InChI=1S/C15H24FN3O/c16-12-8-14(9-17)19(11-12)15(20)10-18-13-6-4-2-1-3-5-7-13/h12-14,18H,1-8,10-11H2/t12-,14-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242518
PNG
((2S,4S)-4-Fluoro-1-{N-[1-(hydroxymethyl)cyclopenty...)
Show SMILES OCC1(CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C13H20FN3O2/c14-10-5-11(6-15)17(8-10)12(19)7-16-13(9-18)3-1-2-4-13/h10-11,16,18H,1-5,7-9H2/t10-,11-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
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