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Compile Data Set for Download or QSAR

Found 72 hits of kd data for polymerid = 50000517,50006580,7224   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007953
PNG
(CHEMBL414113 | pGlu-His-DPal-Ser-Tyr-DPal-Leu-ILys...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C62H86N16O13/c1-35(2)25-45(55(84)71-44(13-6-7-23-67-36(3)4)62(91)78-24-10-14-51(78)61(90)69-37(5)53(63)82)72-57(86)47(27-39-11-8-21-64-30-39)73-56(85)46(26-38-15-17-42(80)18-16-38)75-60(89)50(33-79)77-58(87)48(28-40-12-9-22-65-31-40)74-59(88)49(29-41-32-66-34-68-41)76-54(83)43-19-20-52(81)70-43/h8-9,11-12,15-18,21-22,30-32,34-37,43-51,67,79-80H,6-7,10,13-14,19-20,23-29,33H2,1-5H3,(H2,63,82)(H,66,68)(H,69,90)(H,70,81)(H,71,84)(H,72,86)(H,73,85)(H,74,88)(H,75,89)(H,76,83)(H,77,87)/t37-,43+,44+,45+,46+,47-,48-,49+,50+,51+/m1/s1
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n/an/an/a 0.0800n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007944
PNG
(CHEMBL386314 | pGlu-His-Trp-Ser-NicLys-DNicLys-Leu...)
Show SMILES CCCCN=C(NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NC(N)=O
Show InChI InChI=1S/C75H106N22O15/c1-5-6-30-83-75(96-74(77)112)84-33-14-11-24-55(73(111)97-34-17-25-60(97)72(110)87-45(4)62(76)100)91-68(106)56(35-44(2)3)92-66(104)53(23-10-13-32-82-64(102)47-19-16-29-79-39-47)89-65(103)52(22-9-12-31-81-63(101)46-18-15-28-78-38-46)90-71(109)59(42-98)95-69(107)57(36-48-40-85-51-21-8-7-20-50(48)51)93-70(108)58(37-49-41-80-43-86-49)94-67(105)54-26-27-61(99)88-54/h7-8,15-16,18-21,28-29,38-41,43-45,52-60,85,98H,5-6,9-14,17,22-27,30-37,42H2,1-4H3,(H2,76,100)(H,80,86)(H,81,101)(H,82,102)(H,87,110)(H,88,99)(H,89,103)(H,90,109)(H,91,106)(H,92,104)(H,93,108)(H,94,105)(H,95,107)(H4,77,83,84,96,112)/t45-,52+,53-,54+,55+,56+,57+,58+,59+,60+/m1/s1
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n/an/an/a 0.110n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50000007
PNG
(CHEMBL2370807 | [Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Orn(a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C72H102ClN23O12/c1-40(2)33-53(62(102)85-52(18-9-10-29-78-41(3)4)68(108)96-32-14-21-58(96)67(107)81-42(5)59(74)99)86-61(101)51(20-13-31-80-72-91-70(76)93-95-72)83-60(100)50(19-12-30-79-71-90-69(75)92-94-71)84-66(106)57(39-97)89-65(105)56(37-46-15-11-28-77-38-46)88-64(104)55(35-44-23-26-49(73)27-24-44)87-63(103)54(82-43(6)98)36-45-22-25-47-16-7-8-17-48(47)34-45/h7-8,11,15-17,22-28,34,38,40-42,50-58,78,97H,9-10,12-14,18-21,29-33,35-37,39H2,1-6H3,(H2,74,99)(H,81,107)(H,82,98)(H,83,100)(H,84,106)(H,85,102)(H,86,101)(H,87,103)(H,88,104)(H,89,105)(H4,75,79,90,92,94)(H4,76,80,91,93,95)/t42-,50-,51-,52-,53-,54+,55-,56+,57-,58+/m0/s1
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n/an/an/a 0.210n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor


J Med Chem 35: 4270-8 (1992)


Article DOI: 10.1021/jm00101a003
BindingDB Entry DOI: 10.7270/Q29W0CM0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007958
PNG
(CHEMBL2369860 | pGlu-His-Trp-Ser-Orn(atz)-DOrn(atz...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C62H95N25O12/c1-32(2)25-43(53(94)76-42(15-8-9-21-67-33(3)4)58(99)87-24-12-18-47(87)57(98)72-34(5)49(63)90)77-51(92)40(17-11-23-69-62-82-60(65)84-86-62)74-50(91)39(16-10-22-68-61-81-59(64)83-85-61)75-56(97)46(30-88)80-54(95)44(26-35-28-70-38-14-7-6-13-37(35)38)78-55(96)45(27-36-29-66-31-71-36)79-52(93)41-19-20-48(89)73-41/h6-7,13-14,28-29,31-34,39-47,67,70,88H,8-12,15-27,30H2,1-5H3,(H2,63,90)(H,66,71)(H,72,98)(H,73,89)(H,74,91)(H,75,97)(H,76,94)(H,77,92)(H,78,96)(H,79,93)(H,80,95)(H4,64,68,81,83,85)(H4,65,69,82,84,86)/t34-,39+,40-,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/a 0.210n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007952
PNG
(CHEMBL414391 | pGlu-His-Trp-Ser-Har(mCN)-DHar(mCN)...)
Show SMILES CNC(NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCCNC(NC)=NC#N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N
Show InChI InChI=1S/C66H101N23O12/c1-38(2)29-49(59(96)84-48(21-12-13-25-73-39(3)4)64(101)89-28-16-22-53(89)63(100)80-40(5)55(69)92)85-57(94)46(20-11-15-27-75-66(71-7)78-36-68)82-56(93)45(19-10-14-26-74-65(70-6)77-35-67)83-62(99)52(34-90)88-60(97)50(30-41-32-76-44-18-9-8-17-43(41)44)86-61(98)51(31-42-33-72-37-79-42)87-58(95)47-23-24-54(91)81-47/h8-9,17-18,32-33,37-40,45-53,73,76,90H,10-16,19-31,34H2,1-7H3,(H2,69,92)(H,72,79)(H,80,100)(H,81,91)(H,82,93)(H,83,99)(H,84,96)(H,85,94)(H,86,98)(H,87,95)(H,88,97)(H2,70,74,77)(H2,71,75,78)/t40-,45+,46-,47+,48+,49+,50+,51+,52+,53+/m1/s1
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n/an/an/a 0.240n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50000003
PNG
(CHEMBL266716 | [Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Arg-(D...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C69H92ClN19O12/c1-39(2)30-51(60(94)83-50(17-10-28-79-69(74)75)67(101)89-29-11-18-57(89)66(100)80-40(3)58(71)92)84-63(97)54(34-44-12-7-25-76-36-44)85-59(93)49(16-9-27-78-68(72)73)82-65(99)56(38-90)88-64(98)55(35-45-13-8-26-77-37-45)87-62(96)53(32-42-20-23-48(70)24-21-42)86-61(95)52(81-41(4)91)33-43-19-22-46-14-5-6-15-47(46)31-43/h5-8,12-15,19-26,31,36-37,39-40,49-57,90H,9-11,16-18,27-30,32-35,38H2,1-4H3,(H2,71,92)(H,80,100)(H,81,91)(H,82,99)(H,83,94)(H,84,97)(H,85,93)(H,86,95)(H,87,96)(H,88,98)(H4,72,73,78)(H4,74,75,79)/t40-,49-,50-,51-,52+,53-,54-,55+,56-,57+/m0/s1
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n/an/an/a 0.240n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor


J Med Chem 35: 4270-8 (1992)


Article DOI: 10.1021/jm00101a003
BindingDB Entry DOI: 10.7270/Q29W0CM0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50022918
PNG
(Ac-DNal-DCpa-DPal-Ser-Arg-DPal-Leu-Arg-Pro-DAla-NH...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C67H88ClN19O12/c1-37(2)30-49(58(92)81-48(17-10-28-77-67(72)73)65(99)87-29-11-18-53(87)62(96)78-38(3)56(69)90)83-63(97)54(44-14-7-25-74-34-44)85-57(91)47(16-9-27-76-66(70)71)80-61(95)52(36-88)84-64(98)55(45-15-8-26-75-35-45)86-60(94)51(32-40-20-23-46(68)24-21-40)82-59(93)50(79-39(4)89)33-41-19-22-42-12-5-6-13-43(42)31-41/h5-8,12-15,19-26,31,34-35,37-38,47-55,88H,9-11,16-18,27-30,32-33,36H2,1-4H3,(H2,69,90)(H,78,96)(H,79,89)(H,80,95)(H,81,92)(H,82,93)(H,83,97)(H,84,98)(H,85,91)(H,86,94)(H4,70,71,76)(H4,72,73,77)/t38-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
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n/an/an/a 0.240n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor


J Med Chem 31: 677-82 (1988)


Article DOI: 10.1021/jm00398a030
BindingDB Entry DOI: 10.7270/Q2D21WM7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50022916
PNG
(Ac-delta3-Pro-DFpa-DTrp-Ser-Tyr-DTrp-Leu-Arg-Pro-G...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C=CCN1C(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O
Show InChI InChI=1S/C69H84FN15O14/c1-38(2)29-51(60(91)77-50(15-8-26-73-69(71)72)68(99)85-28-10-16-57(85)66(97)76-36-59(89)90)78-63(94)54(32-42-34-74-48-13-6-4-11-46(42)48)80-61(92)52(31-41-20-24-45(88)25-21-41)79-65(96)56(37-86)83-64(95)55(33-43-35-75-49-14-7-5-12-47(43)49)81-62(93)53(30-40-18-22-44(70)23-19-40)82-67(98)58-17-9-27-84(58)39(3)87/h4-7,9,11-14,17-25,34-35,38,50-58,74-75,86,88H,8,10,15-16,26-33,36-37H2,1-3H3,(H,76,97)(H,77,91)(H,78,94)(H,79,96)(H,80,92)(H,81,93)(H,82,98)(H,83,95)(H,89,90)(H4,71,72,73)/t50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
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n/an/an/a 0.270n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor


J Med Chem 31: 677-82 (1988)


Article DOI: 10.1021/jm00398a030
BindingDB Entry DOI: 10.7270/Q2D21WM7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007955
PNG
(CHEMBL218396 | pGlu-His-DLys(atz)-Ser-Tyr-DArg-Leu...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCNc1nnc(N)[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C60H96N22O13/c1-32(2)26-42(52(90)74-41(13-7-8-22-66-33(3)4)57(95)82-25-11-15-46(82)56(94)70-34(5)48(61)86)75-49(87)39(14-10-24-67-58(62)63)73-53(91)43(27-35-16-18-37(84)19-17-35)76-55(93)45(30-83)78-50(88)38(12-6-9-23-68-60-79-59(64)80-81-60)72-54(92)44(28-36-29-65-31-69-36)77-51(89)40-20-21-47(85)71-40/h16-19,29,31-34,38-46,66,83-84H,6-15,20-28,30H2,1-5H3,(H2,61,86)(H,65,69)(H,70,94)(H,71,85)(H,72,92)(H,73,91)(H,74,90)(H,75,87)(H,76,93)(H,77,89)(H,78,88)(H4,62,63,67)(H4,64,68,79,80,81)/t34-,38-,39-,40+,41+,42+,43+,44+,45+,46+/m1/s1
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n/an/an/a 0.270n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007947
PNG
(CHEMBL269583 | pGlu-His-Trp-Ser-Har(2mpCN)-DHar(2m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(NCc1ccccn1)=NC#N)NC(=O)[C@H](CCCCNC(NCc1ccccn1)=NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C76H107N25O12/c1-46(2)35-59(69(108)96-58(25-12-15-29-81-47(3)4)74(113)101-34-18-26-63(101)73(112)92-48(5)65(79)104)97-67(106)56(24-11-17-33-85-76(90-44-78)88-41-51-20-9-14-31-83-51)94-66(105)55(23-10-16-32-84-75(89-43-77)87-40-50-19-8-13-30-82-50)95-72(111)62(42-102)100-70(109)60(36-49-38-86-54-22-7-6-21-53(49)54)98-71(110)61(37-52-39-80-45-91-52)99-68(107)57-27-28-64(103)93-57/h6-9,13-14,19-22,30-31,38-39,45-48,55-63,81,86,102H,10-12,15-18,23-29,32-37,40-42H2,1-5H3,(H2,79,104)(H,80,91)(H,92,112)(H,93,103)(H,94,105)(H,95,111)(H,96,108)(H,97,106)(H,98,110)(H,99,107)(H,100,109)(H2,84,87,89)(H2,85,88,90)/t48-,55+,56-,57+,58+,59+,60+,61+,62+,63+/m1/s1
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n/an/an/a 0.270n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102433
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Amf(Hor)]-D-[Aph(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@@H](Cc1ccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C84H106ClN17O16/c1-47(2)36-63(75(109)93-62(17-10-11-34-88-48(3)4)83(117)102-35-13-18-71(102)82(116)90-49(5)73(86)107)94-77(111)66(40-54-26-31-61(32-27-54)91-50(6)104)96-79(113)67(38-52-19-21-55(22-20-52)45-89-74(108)69-43-72(106)101-84(118)100-69)98-81(115)70(46-103)99-80(114)68(42-57-14-12-33-87-44-57)97-78(112)65(39-53-24-29-60(85)30-25-53)95-76(110)64(92-51(7)105)41-56-23-28-58-15-8-9-16-59(58)37-56/h8-9,12,14-16,19-33,37,44,47-49,62-71,88,103H,10-11,13,17-18,34-36,38-43,45-46H2,1-7H3,(H2,86,107)(H,89,108)(H,90,116)(H,91,104)(H,92,105)(H,93,109)(H,94,111)(H,95,110)(H,96,113)(H,97,112)(H,98,115)(H,99,114)(H2,100,101,106,118)/t49-,62+,63+,64-,65-,66-,67-,68-,69+,70+,71+/m1/s1
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n/an/an/a 0.316n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007959
PNG
(CHEMBL438762 | pGlu-His-Trp-Ser-Har(iCN)-DHar(iCN)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(NC(C)C)=NC#N)NC(=O)[C@H](CCCCNC(NC(C)C)=NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C70H109N23O12/c1-40(2)31-53(63(100)88-52(23-14-15-27-75-41(3)4)68(105)93-30-18-24-57(93)67(104)84-44(9)59(73)96)89-61(98)50(22-13-17-29-77-70(80-38-72)83-43(7)8)86-60(97)49(21-12-16-28-76-69(79-37-71)82-42(5)6)87-66(103)56(36-94)92-64(101)54(32-45-34-78-48-20-11-10-19-47(45)48)90-65(102)55(33-46-35-74-39-81-46)91-62(99)51-25-26-58(95)85-51/h10-11,19-20,34-35,39-44,49-57,75,78,94H,12-18,21-33,36H2,1-9H3,(H2,73,96)(H,74,81)(H,84,104)(H,85,95)(H,86,97)(H,87,103)(H,88,100)(H,89,98)(H,90,102)(H,91,99)(H,92,101)(H2,76,79,82)(H2,77,80,83)/t44-,49+,50-,51+,52+,53+,54+,55+,56+,57+/m1/s1
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n/an/an/a 0.320n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50000006
PNG
(CHEMBL2370809 | [Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Lys(N...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C82H108ClN17O14/c1-50(2)41-65(76(108)95-64(26-11-12-37-88-51(3)4)82(114)100-40-18-27-70(100)81(113)91-52(5)71(84)103)96-75(107)63(25-10-14-39-90-73(105)60-23-17-36-87-48-60)93-74(106)62(24-9-13-38-89-72(104)59-22-16-35-86-47-59)94-80(112)69(49-101)99-79(111)68(45-56-19-15-34-85-46-56)98-78(110)67(43-54-29-32-61(83)33-30-54)97-77(109)66(92-53(6)102)44-55-28-31-57-20-7-8-21-58(57)42-55/h7-8,15-17,19-23,28-36,42,46-48,50-52,62-70,88,101H,9-14,18,24-27,37-41,43-45,49H2,1-6H3,(H2,84,103)(H,89,104)(H,90,105)(H,91,113)(H,92,102)(H,93,106)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,98,110)(H,99,111)/t52-,62-,63-,64-,65-,66+,67-,68+,69-,70+/m0/s1
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n/an/an/a 0.350n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor


J Med Chem 35: 4270-8 (1992)


Article DOI: 10.1021/jm00101a003
BindingDB Entry DOI: 10.7270/Q29W0CM0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007960
PNG
(CHEMBL261999 | pGlu-His-Trp-Ser-Arg(2mpCN)-DArg(2m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(NCc1ccccn1)=NC#N)NC(=O)[C@H](CCCNC(NCc1ccccn1)=NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C74H103N25O12/c1-44(2)33-57(67(106)94-56(21-10-13-27-79-45(3)4)72(111)99-32-16-24-61(99)71(110)90-46(5)63(77)102)95-65(104)54(23-15-31-83-74(88-42-76)86-39-49-18-9-12-29-81-49)92-64(103)53(22-14-30-82-73(87-41-75)85-38-48-17-8-11-28-80-48)93-70(109)60(40-100)98-68(107)58(34-47-36-84-52-20-7-6-19-51(47)52)96-69(108)59(35-50-37-78-43-89-50)97-66(105)55-25-26-62(101)91-55/h6-9,11-12,17-20,28-29,36-37,43-46,53-61,79,84,100H,10,13-16,21-27,30-35,38-40H2,1-5H3,(H2,77,102)(H,78,89)(H,90,110)(H,91,101)(H,92,103)(H,93,109)(H,94,106)(H,95,104)(H,96,108)(H,97,105)(H,98,107)(H2,82,85,87)(H2,83,86,88)/t46-,53+,54-,55+,56+,57+,58+,59+,60+,61+/m1/s1
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n/an/an/a 0.410n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007957
PNG
(CHEMBL438191 | pGlu-His-Trp-Ser-NicLys-DNicLys-Leu...)
Show SMILES CCCCNC(NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N
Show InChI InChI=1S/C75H104N22O14/c1-5-6-30-83-75(86-43-76)84-33-14-11-24-56(74(111)97-34-17-25-61(97)73(110)88-46(4)63(77)100)92-69(106)57(35-45(2)3)93-67(104)54(23-10-13-32-82-65(102)48-19-16-29-79-39-48)90-66(103)53(22-9-12-31-81-64(101)47-18-15-28-78-38-47)91-72(109)60(42-98)96-70(107)58(36-49-40-85-52-21-8-7-20-51(49)52)94-71(108)59(37-50-41-80-44-87-50)95-68(105)55-26-27-62(99)89-55/h7-8,15-16,18-21,28-29,38-41,44-46,53-61,85,98H,5-6,9-14,17,22-27,30-37,42H2,1-4H3,(H2,77,100)(H,80,87)(H,81,101)(H,82,102)(H,88,110)(H,89,99)(H,90,103)(H,91,109)(H,92,106)(H,93,104)(H,94,108)(H,95,105)(H,96,107)(H2,83,84,86)/t46-,53+,54-,55+,56+,57+,58+,59+,60+,61+/m1/s1
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n/an/an/a 0.450n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007945
PNG
(CHEMBL2369851 | pGlu-His-Trp-Ser-Lys(atz)-DLys(atz...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C64H99N25O12/c1-34(2)27-45(55(96)78-44(19-10-11-23-69-35(3)4)60(101)89-26-14-20-49(89)59(100)74-36(5)51(65)92)79-53(94)42(18-9-13-25-71-64-84-62(67)86-88-64)76-52(93)41(17-8-12-24-70-63-83-61(66)85-87-63)77-58(99)48(32-90)82-56(97)46(28-37-30-72-40-16-7-6-15-39(37)40)80-57(98)47(29-38-31-68-33-73-38)81-54(95)43-21-22-50(91)75-43/h6-7,15-16,30-31,33-36,41-49,69,72,90H,8-14,17-29,32H2,1-5H3,(H2,65,92)(H,68,73)(H,74,100)(H,75,91)(H,76,93)(H,77,99)(H,78,96)(H,79,94)(H,80,98)(H,81,95)(H,82,97)(H4,66,70,83,85,87)(H4,67,71,84,86,88)/t36-,41+,42-,43+,44+,45+,46+,47+,48+,49+/m1/s1
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n/an/an/a 0.480n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50000001
PNG
(CHEMBL2370818 | [Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Lys(a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C74H106ClN23O12/c1-42(2)35-55(64(104)87-54(22-11-12-31-80-43(3)4)70(110)98-34-16-23-60(98)69(109)83-44(5)61(76)101)88-63(103)53(21-10-14-33-82-74-93-72(78)95-97-74)85-62(102)52(20-9-13-32-81-73-92-71(77)94-96-73)86-68(108)59(41-99)91-67(107)58(39-48-17-15-30-79-40-48)90-66(106)57(37-46-25-28-51(75)29-26-46)89-65(105)56(84-45(6)100)38-47-24-27-49-18-7-8-19-50(49)36-47/h7-8,15,17-19,24-30,36,40,42-44,52-60,80,99H,9-14,16,20-23,31-35,37-39,41H2,1-6H3,(H2,76,101)(H,83,109)(H,84,100)(H,85,102)(H,86,108)(H,87,104)(H,88,103)(H,89,105)(H,90,106)(H,91,107)(H4,77,81,92,94,96)(H4,78,82,93,95,97)/t44-,52-,53-,54-,55-,56+,57-,58+,59-,60+/m0/s1
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n/an/an/a 0.480n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor


J Med Chem 35: 4270-8 (1992)


Article DOI: 10.1021/jm00101a003
BindingDB Entry DOI: 10.7270/Q29W0CM0
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102454
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-Tyr-D-Har(Et2)-Leu...)
Show SMILES CCNC(NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(NCC)=NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NCC
Show InChI InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1
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n/an/an/a 0.501n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102434
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Aph(C...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C79H101ClN16O14/c1-45(2)36-61(70(101)89-60(17-10-11-34-84-46(3)4)78(109)96-35-13-18-68(96)77(108)85-47(5)69(81)100)90-72(103)64(39-52-24-31-59(32-25-52)88-79(82)110)92-74(105)65(40-51-22-29-58(30-23-51)86-48(6)98)94-76(107)67(44-97)95-75(106)66(42-54-14-12-33-83-43-54)93-73(104)63(38-50-20-27-57(80)28-21-50)91-71(102)62(87-49(7)99)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,43,45-47,60-68,84,97H,10-11,13,17-18,34-36,38-42,44H2,1-7H3,(H2,81,100)(H,85,108)(H,86,98)(H,87,99)(H,89,101)(H,90,103)(H,91,102)(H,92,105)(H,93,104)(H,94,107)(H,95,106)(H3,82,88,110)/t47-,60+,61+,62-,63-,64-,65+,66-,67+,68+/m1/s1
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n/an/an/a 0.501n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102451
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-Arg-D-Glu(Nal)-Leu...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)NC(Cc1ccc2ccccc2c1)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C82H108ClN17O15/c1-47(2)38-63(74(107)95-62(21-11-12-35-88-48(3)4)80(113)100-37-15-23-69(100)79(112)90-49(5)71(84)104)96-73(106)61(32-33-70(103)92-67(81(114)115)43-53-25-29-56-18-8-10-20-58(56)40-53)94-72(105)60(22-14-36-89-82(85)86)93-78(111)68(46-101)99-77(110)66(44-54-16-13-34-87-45-54)98-76(109)65(41-51-26-30-59(83)31-27-51)97-75(108)64(91-50(6)102)42-52-24-28-55-17-7-9-19-57(55)39-52/h7-10,13,16-20,24-31,34,39-40,45,47-49,60-69,88,101H,11-12,14-15,21-23,32-33,35-38,41-44,46H2,1-6H3,(H2,84,104)(H,90,112)(H,91,102)(H,92,103)(H,93,111)(H,94,105)(H,95,107)(H,96,106)(H,97,108)(H,98,109)(H,99,110)(H,114,115)(H4,85,86,89)/t49-,60+,61-,62+,63+,64-,65-,66-,67?,68+,69+/m1/s1
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n/an/an/a 0.501n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102447
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Amf(C...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C80H103ClN16O14/c1-46(2)36-62(71(102)90-61(17-10-11-34-85-47(3)4)79(110)97-35-13-18-69(97)78(109)87-48(5)70(82)101)91-73(104)64(38-51-19-21-54(22-20-51)44-86-80(83)111)93-75(106)66(40-53-26-31-60(32-27-53)88-49(6)99)95-77(108)68(45-98)96-76(107)67(42-56-14-12-33-84-43-56)94-74(105)65(39-52-24-29-59(81)30-25-52)92-72(103)63(89-50(7)100)41-55-23-28-57-15-8-9-16-58(57)37-55/h8-9,12,14-16,19-33,37,43,46-48,61-69,85,98H,10-11,13,17-18,34-36,38-42,44-45H2,1-7H3,(H2,82,101)(H,87,109)(H,88,99)(H,89,100)(H,90,102)(H,91,104)(H,92,103)(H,93,106)(H,94,105)(H,95,108)(H,96,107)(H3,83,86,111)/t48-,61+,62+,63-,64+,65-,66+,67-,68+,69+/m1/s1
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n/an/an/a 0.631n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102450
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Aph...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1
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n/an/an/a 0.631n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102432
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Imz)]-D-[Aph(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)C2CNC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C82H104ClN17O15/c1-46(2)36-62(72(105)92-61(17-10-11-34-86-47(3)4)81(114)100-35-13-18-70(100)80(113)88-48(5)71(84)104)93-74(107)65(39-52-22-29-59(30-23-52)89-49(6)102)95-76(109)66(40-53-24-31-60(32-25-53)91-78(111)68-44-87-82(115)99-68)97-79(112)69(45-101)98-77(110)67(42-55-14-12-33-85-43-55)96-75(108)64(38-51-20-27-58(83)28-21-51)94-73(106)63(90-50(7)103)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,43,46-48,61-70,86,101H,10-11,13,17-18,34-36,38-42,44-45H2,1-7H3,(H2,84,104)(H,88,113)(H,89,102)(H,90,103)(H,91,111)(H,92,105)(H,93,107)(H,94,106)(H,95,109)(H,96,108)(H,97,112)(H,98,110)(H2,87,99,115)/t48-,61+,62+,63-,64-,65-,66+,67-,68?,69+,70+/m1/s1
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n/an/an/a 0.631n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102448
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CO
Show InChI InChI=1S/C83H106ClN17O16/c1-47(2)35-62(73(107)92-61(16-9-10-33-87-48(3)4)81(115)101-34-12-17-70(101)80(114)89-49(5)45-102)93-75(109)64(37-51-18-20-54(21-19-51)44-88-82(85)116)95-77(111)66(39-53-25-30-60(31-26-53)91-72(106)68-42-71(105)100-83(117)99-68)97-79(113)69(46-103)98-78(112)67(41-56-13-11-32-86-43-56)96-76(110)65(38-52-23-28-59(84)29-24-52)94-74(108)63(90-50(6)104)40-55-22-27-57-14-7-8-15-58(57)36-55/h7-8,11,13-15,18-32,36,43,47-49,61-70,87,102-103H,9-10,12,16-17,33-35,37-42,44-46H2,1-6H3,(H,89,114)(H,90,104)(H,91,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,88,116)(H2,99,100,105,117)/t49-,61-,62-,63+,64+,65+,66-,67+,68-,69-,70-/m0/s1
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n/an/an/a 0.631n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102437
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O
Show InChI InChI=1S/C82H104ClN17O15/c1-7-86-79(112)69-18-13-35-100(69)80(113)60(17-10-11-34-87-48(4)5)91-72(105)61(36-47(2)3)92-74(107)63(38-50-19-21-53(22-20-50)45-88-81(84)114)94-76(109)65(40-52-26-31-59(32-27-52)90-71(104)67-43-70(103)99-82(115)98-67)96-78(111)68(46-101)97-77(110)66(42-55-14-12-33-85-44-55)95-75(108)64(39-51-24-29-58(83)30-25-51)93-73(106)62(89-49(6)102)41-54-23-28-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,44,47-48,60-69,87,101H,7,10-11,13,17-18,34-36,38-43,45-46H2,1-6H3,(H,86,112)(H,89,102)(H,90,104)(H,91,105)(H,92,107)(H,93,106)(H,94,109)(H,95,108)(H,96,111)(H,97,110)(H3,84,88,114)(H2,98,99,103,115)/t60-,61-,62+,63+,64+,65-,66+,67+,68-,69-/m0/s1
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n/an/an/a 0.631n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50022913
PNG
(Ac-DNal-DFpa-DTrp-Ser-Tyr-DArg-Leu-Arg-Pro-Gly-NH2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C72H93FN18O13/c1-40(2)31-54(63(97)85-53(16-9-29-80-72(77)78)70(104)91-30-10-17-60(91)69(103)82-38-61(74)95)86-62(96)52(15-8-28-79-71(75)76)84-65(99)56(34-43-21-26-49(94)27-22-43)88-68(102)59(39-92)90-67(101)58(36-47-37-81-51-14-7-6-13-50(47)51)89-66(100)57(33-42-19-24-48(73)25-20-42)87-64(98)55(83-41(3)93)35-44-18-23-45-11-4-5-12-46(45)32-44/h4-7,11-14,18-27,32,37,40,52-60,81,92,94H,8-10,15-17,28-31,33-36,38-39H2,1-3H3,(H2,74,95)(H,82,103)(H,83,93)(H,84,99)(H,85,97)(H,86,96)(H,87,98)(H,88,102)(H,89,100)(H,90,101)(H4,75,76,79)(H4,77,78,80)/t52-,53+,54+,55-,56+,57-,58-,59+,60+/m1/s1
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n/an/an/a 0.640n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor


J Med Chem 31: 677-82 (1988)


Article DOI: 10.1021/jm00398a030
BindingDB Entry DOI: 10.7270/Q2D21WM7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50000004
PNG
(CHEMBL2370808 | [Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Arg-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C72H101ClN20O16/c1-38(2)31-52(63(101)88-51(17-11-29-81-72(77)78)69(107)93-30-12-18-57(93)68(106)83-39(3)59(74)97)89-62(100)50(25-26-58(96)82-40(4)60(98)84-41(5)70(108)109)87-61(99)49(16-10-28-80-71(75)76)86-67(105)56(37-94)92-66(104)55(35-45-13-9-27-79-36-45)91-65(103)54(33-43-20-23-48(73)24-21-43)90-64(102)53(85-42(6)95)34-44-19-22-46-14-7-8-15-47(46)32-44/h7-9,13-15,19-24,27,32,36,38-41,49-57,94H,10-12,16-18,25-26,28-31,33-35,37H2,1-6H3,(H2,74,97)(H,82,96)(H,83,106)(H,84,98)(H,85,95)(H,86,105)(H,87,99)(H,88,101)(H,89,100)(H,90,102)(H,91,103)(H,92,104)(H,108,109)(H4,75,76,80)(H4,77,78,81)/t39-,40-,41-,49-,50-,51-,52-,53+,54-,55+,56-,57+/m0/s1
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n/an/an/a 0.670n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor


J Med Chem 35: 4270-8 (1992)


Article DOI: 10.1021/jm00101a003
BindingDB Entry DOI: 10.7270/Q29W0CM0
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102445
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-Cit-L...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C78H103ClN18O16/c1-43(2)34-57(69(104)89-56(17-9-10-31-83-44(3)4)76(111)97-33-13-19-64(97)75(110)85-45(5)66(80)101)90-67(102)55(18-12-32-84-77(81)112)88-71(106)59(37-48-23-28-54(29-24-48)87-68(103)62-40-65(100)96-78(113)95-62)93-74(109)63(42-98)94-73(108)61(39-50-14-11-30-82-41-50)92-72(107)60(36-47-21-26-53(79)27-22-47)91-70(105)58(86-46(6)99)38-49-20-25-51-15-7-8-16-52(51)35-49/h7-8,11,14-16,20-30,35,41,43-45,55-64,83,98H,9-10,12-13,17-19,31-34,36-40,42H2,1-6H3,(H2,80,101)(H,85,110)(H,86,99)(H,87,103)(H,88,106)(H,89,104)(H,90,102)(H,91,105)(H,92,107)(H,93,109)(H,94,108)(H3,81,84,112)(H2,95,96,100,113)/t45-,55-,56+,57+,58-,59+,60-,61-,62-,63+,64+/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102458
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nalpha-Me-Aph(Hor...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C84H106ClN17O16/c1-47(2)37-63(75(109)93-62(18-11-12-35-88-48(3)4)83(117)102-36-14-19-70(102)80(114)89-49(5)73(86)107)94-78(112)66(40-53-23-30-60(31-24-53)90-50(6)104)97-81(115)71(43-54-25-32-61(33-26-54)92-74(108)68-44-72(106)100-84(118)99-68)101(8)82(116)69(46-103)98-79(113)67(42-56-15-13-34-87-45-56)96-77(111)65(39-52-21-28-59(85)29-22-52)95-76(110)64(91-51(7)105)41-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,45,47-49,62-71,88,103H,11-12,14,18-19,35-37,39-44,46H2,1-8H3,(H2,86,107)(H,89,114)(H,90,104)(H,91,105)(H,92,108)(H,93,109)(H,94,112)(H,95,110)(H,96,111)(H,97,115)(H,98,113)(H2,99,100,106,118)/t49-,62+,63+,64-,65-,66-,67-,68+,69+,70+,71+/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102453
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)
Show SMILES CNC(=O)NCc1ccc(C[C@@H](NC(=O)[C@H](Cc2ccc(NC(=O)[C@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1
Show InChI InChI=1S/C84H107ClN18O16/c1-47(2)36-62(74(109)94-61(17-10-11-34-89-48(3)4)82(117)103-35-13-18-70(103)81(116)91-49(5)72(86)107)95-76(111)64(38-51-19-21-54(22-20-51)45-90-83(118)87-7)97-78(113)66(40-53-26-31-60(32-27-53)93-73(108)68-43-71(106)102-84(119)101-68)99-80(115)69(46-104)100-79(114)67(42-56-14-12-33-88-44-56)98-77(112)65(39-52-24-29-59(85)30-25-52)96-75(110)63(92-50(6)105)41-55-23-28-57-15-8-9-16-58(57)37-55/h8-9,12,14-16,19-33,37,44,47-49,61-70,89,104H,10-11,13,17-18,34-36,38-43,45-46H2,1-7H3,(H2,86,107)(H,91,116)(H,92,105)(H,93,108)(H,94,109)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H,99,115)(H,100,114)(H2,87,90,118)(H2,101,102,106,119)/t49-,61+,62+,63-,64-,65-,66+,67-,68-,69+,70+/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102442
PNG
(ABARELIX | Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nalpha...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50022912
PNG
(Ac-DNal-DCpa-DPal-c[Cys-Arg-DPal-Leu-Arg-Pro-Cys]-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C67H86ClN19O11S2/c1-37(2)29-48-58(91)80-47(16-9-27-77-67(72)73)65(98)87-28-10-17-53(87)62(95)83-51(56(69)89)35-99-100-36-52(61(94)79-46(15-8-26-76-66(70)71)57(90)85-54(63(96)82-48)43-13-6-24-74-33-43)84-64(97)55(44-14-7-25-75-34-44)86-60(93)50(31-39-19-22-45(68)23-20-39)81-59(92)49(78-38(3)88)32-40-18-21-41-11-4-5-12-42(41)30-40/h4-7,11-14,18-25,30,33-34,37,46-55H,8-10,15-17,26-29,31-32,35-36H2,1-3H3,(H2,69,89)(H,78,88)(H,79,94)(H,80,91)(H,81,92)(H,82,96)(H,83,95)(H,84,97)(H,85,90)(H,86,93)(H4,70,71,76)(H4,72,73,77)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
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n/an/an/a 0.800n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor


J Med Chem 31: 677-82 (1988)


Article DOI: 10.1021/jm00398a030
BindingDB Entry DOI: 10.7270/Q2D21WM7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50000002
PNG
(CHEMBL2370814 | [Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Lys(a...)
Show SMILES CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O
Show InChI InChI=1S/C75H108ClN23O12/c1-7-80-62(102)42-84-70(110)61-24-17-35-99(61)71(111)55(23-12-13-32-81-45(4)5)88-65(105)56(36-44(2)3)89-64(104)54(22-11-15-34-83-75-94-73(78)96-98-75)86-63(103)53(21-10-14-33-82-74-93-72(77)95-97-74)87-69(109)60(43-100)92-68(108)59(40-49-18-16-31-79-41-49)91-67(107)58(38-47-26-29-52(76)30-27-47)90-66(106)57(85-46(6)101)39-48-25-28-50-19-8-9-20-51(50)37-48/h8-9,16,18-20,25-31,37,41,44-45,53-61,81,100H,7,10-15,17,21-24,32-36,38-40,42-43H2,1-6H3,(H,80,102)(H,84,110)(H,85,101)(H,86,103)(H,87,109)(H,88,105)(H,89,104)(H,90,106)(H,91,107)(H,92,108)(H4,77,82,93,95,97)(H4,78,83,94,96,98)/t53-,54-,55-,56-,57+,58-,59+,60-,61+/m0/s1
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n/an/an/a 0.860n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor


J Med Chem 35: 4270-8 (1992)


Article DOI: 10.1021/jm00101a003
BindingDB Entry DOI: 10.7270/Q29W0CM0
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50000005
PNG
(CHEMBL2370803 | [Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Lys(a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C73H104ClN23O12/c1-42(2)34-54(63(103)86-53(21-10-11-30-79-43(3)4)69(109)97-33-15-22-59(97)68(108)82-40-60(75)100)87-62(102)52(20-9-13-32-81-73-92-71(77)94-96-73)84-61(101)51(19-8-12-31-80-72-91-70(76)93-95-72)85-67(107)58(41-98)90-66(106)57(38-47-16-14-29-78-39-47)89-65(105)56(36-45-24-27-50(74)28-25-45)88-64(104)55(83-44(5)99)37-46-23-26-48-17-6-7-18-49(48)35-46/h6-7,14,16-18,23-29,35,39,42-43,51-59,79,98H,8-13,15,19-22,30-34,36-38,40-41H2,1-5H3,(H2,75,100)(H,82,108)(H,83,99)(H,84,101)(H,85,107)(H,86,103)(H,87,102)(H,88,104)(H,89,105)(H,90,106)(H4,76,80,91,93,95)(H4,77,81,92,94,96)/t51-,52-,53-,54-,55+,56-,57+,58-,59+/m0/s1
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n/an/an/a 0.860n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor


J Med Chem 35: 4270-8 (1992)


Article DOI: 10.1021/jm00101a003
BindingDB Entry DOI: 10.7270/Q29W0CM0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007951
PNG
(CHEMBL407482 | pGlu-His-DPal-Ser-Tyr-DArg-Leu-Har(...)
Show SMILES CCCCNC(NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N
Show InChI InChI=1S/C63H93N21O13/c1-5-6-23-71-63(73-34-64)72-24-8-7-13-44(61(97)84-26-11-15-50(84)60(96)75-37(4)52(65)88)78-55(91)45(27-36(2)3)79-53(89)42(14-10-25-70-62(66)67)77-56(92)46(28-38-16-18-41(86)19-17-38)81-59(95)49(33-85)83-57(93)47(29-39-12-9-22-68-31-39)80-58(94)48(30-40-32-69-35-74-40)82-54(90)43-20-21-51(87)76-43/h9,12,16-19,22,31-32,35-37,42-50,85-86H,5-8,10-11,13-15,20-21,23-30,33H2,1-4H3,(H2,65,88)(H,69,74)(H,75,96)(H,76,87)(H,77,92)(H,78,91)(H,79,89)(H,80,94)(H,81,95)(H,82,90)(H,83,93)(H4,66,67,70)(H2,71,72,73)/t37-,42-,43+,44+,45+,46+,47-,48+,49+,50+/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50022920
PNG
(Ac-DNal-DCpa-DPal-c[Glu-Arg-DPal-Leu-Arg-Pro-Dpr]-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C69H89ClN20O12/c1-38(2)31-50-61(96)84-49(16-9-29-79-69(74)75)67(102)90-30-10-17-54(90)64(99)87-53(58(71)93)37-80-55(92)25-24-48(59(94)82-47(15-8-28-78-68(72)73)60(95)88-57(66(101)86-50)45-14-7-27-77-36-45)83-65(100)56(44-13-6-26-76-35-44)89-63(98)52(33-40-19-22-46(70)23-20-40)85-62(97)51(81-39(3)91)34-41-18-21-42-11-4-5-12-43(42)32-41/h4-7,11-14,18-23,26-27,32,35-36,38,47-54,56-57H,8-10,15-17,24-25,28-31,33-34,37H2,1-3H3,(H2,71,93)(H,80,92)(H,81,91)(H,82,94)(H,83,100)(H,84,96)(H,85,97)(H,86,101)(H,87,99)(H,88,95)(H,89,98)(H4,72,73,78)(H4,74,75,79)/t47-,48-,49-,50-,51-,52-,53-,54-,56-,57-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor


J Med Chem 31: 677-82 (1988)


Article DOI: 10.1021/jm00398a030
BindingDB Entry DOI: 10.7270/Q2D21WM7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50022924
PNG
(Ac-DNal-DCpa-DPal-Dpr(Ac)-Arg-DPal-Leu-Arg-Pro-Asn...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CNC(C)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C70H92ClN21O13/c1-38(2)30-51(61(98)85-49(17-10-28-81-70(76)77)68(105)92-29-11-18-55(92)65(102)86-50(59(73)96)34-56(72)95)88-66(103)57(45-14-7-25-78-35-45)90-60(97)48(16-9-27-80-69(74)75)84-64(101)54(37-82-39(3)93)89-67(104)58(46-15-8-26-79-36-46)91-63(100)53(32-41-20-23-47(71)24-21-41)87-62(99)52(83-40(4)94)33-42-19-22-43-12-5-6-13-44(43)31-42/h5-8,12-15,19-26,31,35-36,38,48-55,57-58H,9-11,16-18,27-30,32-34,37H2,1-4H3,(H2,72,95)(H2,73,96)(H,82,93)(H,83,94)(H,84,101)(H,85,98)(H,86,102)(H,87,99)(H,88,103)(H,89,104)(H,90,97)(H,91,100)(H4,74,75,80)(H4,76,77,81)/t48-,49-,50-,51-,52-,53-,54-,55-,57-,58-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor


J Med Chem 31: 677-82 (1988)


Article DOI: 10.1021/jm00398a030
BindingDB Entry DOI: 10.7270/Q2D21WM7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102467
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Aph(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C86H106ClN19O18/c1-46(2)35-61(76(114)95-60(16-9-10-33-90-47(3)4)84(122)106-34-12-17-70(106)83(121)91-48(5)73(88)111)96-78(116)64(38-51-21-28-58(29-22-51)93-74(112)67-42-71(109)104-85(123)102-67)98-80(118)65(39-52-23-30-59(31-24-52)94-75(113)68-43-72(110)105-86(124)103-68)100-82(120)69(45-107)101-81(119)66(41-54-13-11-32-89-44-54)99-79(117)63(37-50-19-26-57(87)27-20-50)97-77(115)62(92-49(6)108)40-53-18-25-55-14-7-8-15-56(55)36-53/h7-8,11,13-15,18-32,36,44,46-48,60-70,90,107H,9-10,12,16-17,33-35,37-43,45H2,1-6H3,(H2,88,111)(H,91,121)(H,92,108)(H,93,112)(H,94,113)(H,95,114)(H,96,116)(H,97,115)(H,98,118)(H,99,117)(H,100,120)(H,101,119)(H2,102,104,109,123)(H2,103,105,110,124)/t48-,60+,61+,62-,63-,64-,65+,66-,67-,68-,69+,70+/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102444
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C84H106ClN17O16/c1-47(2)36-63(75(109)93-62(17-10-11-34-88-48(3)4)83(117)102-35-13-18-71(102)82(116)90-49(5)73(86)107)94-77(111)65(38-52-19-21-55(22-20-52)45-89-50(6)104)96-79(113)67(40-54-26-31-61(32-27-54)92-74(108)69-43-72(106)101-84(118)100-69)98-81(115)70(46-103)99-80(114)68(42-57-14-12-33-87-44-57)97-78(112)66(39-53-24-29-60(85)30-25-53)95-76(110)64(91-51(7)105)41-56-23-28-58-15-8-9-16-59(58)37-56/h8-9,12,14-16,19-33,37,44,47-49,62-71,88,103H,10-11,13,17-18,34-36,38-43,45-46H2,1-7H3,(H2,86,107)(H,89,104)(H,90,116)(H,91,105)(H,92,108)(H,93,109)(H,94,111)(H,95,110)(H,96,113)(H,97,112)(H,98,115)(H,99,114)(H2,100,101,106,118)/t49-,62+,63+,64-,65-,66-,67+,68-,69-,70+,71+/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102461
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Aph...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C83H104ClN17O16/c1-46(2)36-62(74(108)92-61(17-10-11-34-87-47(3)4)82(116)101-35-13-18-70(101)81(115)88-48(5)72(85)106)93-76(110)65(39-52-22-29-59(30-23-52)89-49(6)103)95-78(112)66(40-53-24-31-60(32-25-53)91-73(107)68-43-71(105)100-83(117)99-68)97-80(114)69(45-102)98-79(113)67(42-55-14-12-33-86-44-55)96-77(111)64(38-51-20-27-58(84)28-21-51)94-75(109)63(90-50(7)104)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,44,46-48,61-70,87,102H,10-11,13,17-18,34-36,38-43,45H2,1-7H3,(H2,85,106)(H,88,115)(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,110)(H,94,109)(H,95,112)(H,96,111)(H,97,114)(H,98,113)(H2,99,100,105,117)/t48-,61+,62+,63-,64-,65-,66+,67-,68-,69+,70+/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102438
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CO
Show InChI InChI=1S/C83H106ClN17O16/c1-47(2)35-62(73(107)92-61(16-9-10-33-87-48(3)4)81(115)101-34-12-17-70(101)80(114)89-49(5)45-102)93-75(109)64(37-51-18-20-54(21-19-51)44-88-82(85)116)95-77(111)66(39-53-25-30-60(31-26-53)91-72(106)68-42-71(105)100-83(117)99-68)97-79(113)69(46-103)98-78(112)67(41-56-13-11-32-86-43-56)96-76(110)65(38-52-23-28-59(84)29-24-52)94-74(108)63(90-50(6)104)40-55-22-27-57-14-7-8-15-58(57)36-55/h7-8,11,13-15,18-32,36,43,47-49,61-70,87,102-103H,9-10,12,16-17,33-35,37-42,44-46H2,1-6H3,(H,89,114)(H,90,104)(H,91,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,88,116)(H2,99,100,105,117)/t49-,61+,62+,63-,64-,65-,66+,67-,68+,69+,70+/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102439
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Aph(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C86H106ClN19O18/c1-46(2)35-61(76(114)95-60(16-9-10-33-90-47(3)4)84(122)106-34-12-17-70(106)83(121)91-48(5)73(88)111)96-78(116)64(38-51-21-28-58(29-22-51)93-74(112)67-42-71(109)104-85(123)102-67)98-80(118)65(39-52-23-30-59(31-24-52)94-75(113)68-43-72(110)105-86(124)103-68)100-82(120)69(45-107)101-81(119)66(41-54-13-11-32-89-44-54)99-79(117)63(37-50-19-26-57(87)27-20-50)97-77(115)62(92-49(6)108)40-53-18-25-55-14-7-8-15-56(55)36-53/h7-8,11,13-15,18-32,36,44,46-48,60-70,90,107H,9-10,12,16-17,33-35,37-43,45H2,1-6H3,(H2,88,111)(H,91,121)(H,92,108)(H,93,112)(H,94,113)(H,95,114)(H,96,116)(H,97,115)(H,98,118)(H,99,117)(H,100,120)(H,101,119)(H2,102,104,109,123)(H2,103,105,110,124)/t48-,60+,61+,62-,63-,64-,65+,66-,67+,68-,69+,70+/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50022926
PNG
(Ac-DNal-DCpa-DPal-c[Asp-Arg-DPal-Leu-Arg-Pro-Dpr]-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C68H87ClN20O12/c1-37(2)29-48-59(94)82-47(16-9-27-78-68(73)74)66(101)89-28-10-17-53(89)63(98)86-52(57(70)92)36-79-54(91)33-51(61(96)81-46(15-8-26-77-67(71)72)58(93)87-55(64(99)84-48)43-13-6-24-75-34-43)85-65(100)56(44-14-7-25-76-35-44)88-62(97)50(31-39-19-22-45(69)23-20-39)83-60(95)49(80-38(3)90)32-40-18-21-41-11-4-5-12-42(41)30-40/h4-7,11-14,18-25,30,34-35,37,46-53,55-56H,8-10,15-17,26-29,31-33,36H2,1-3H3,(H2,70,92)(H,79,91)(H,80,90)(H,81,96)(H,82,94)(H,83,95)(H,84,99)(H,85,100)(H,86,98)(H,87,93)(H,88,97)(H4,71,72,77)(H4,73,74,78)/t46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1
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n/an/an/a 1.10n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor


J Med Chem 31: 677-82 (1988)


Article DOI: 10.1021/jm00398a030
BindingDB Entry DOI: 10.7270/Q2D21WM7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50022923
PNG
(Ac-DNal-DFpa-DTrp-[Glu-Tyr-DArg-Leu-Arg-Pro-Dpr]-N...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C73H94FN19O12/c1-40(2)32-55-66(100)87-54(15-8-30-82-73(79)80)71(105)93-31-9-16-60(93)70(104)92-59(62(76)96)39-84-61(95)28-27-53(65(99)90-57(36-42-20-25-48(94)26-21-42)67(101)85-52(64(98)89-55)14-7-29-81-72(77)78)86-69(103)58(37-46-38-83-51-13-6-5-12-49(46)51)91-68(102)56(35-41-18-23-47(74)24-19-41)88-63(97)50(75)34-43-17-22-44-10-3-4-11-45(44)33-43/h3-6,10-13,17-26,33,38,40,50,52-60,83,94H,7-9,14-16,27-32,34-37,39,75H2,1-2H3,(H2,76,96)(H,84,95)(H,85,101)(H,86,103)(H,87,100)(H,88,97)(H,89,98)(H,90,99)(H,91,102)(H,92,104)(H4,77,78,81)(H4,79,80,82)/t50-,52-,53+,54+,55+,56-,57+,58+,59+,60+/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor


J Med Chem 31: 677-82 (1988)


Article DOI: 10.1021/jm00398a030
BindingDB Entry DOI: 10.7270/Q2D21WM7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007954
PNG
(CHEMBL407023 | pGlu-His-DHar(bCN)-Ser-Tyr-DArg-Leu...)
Show SMILES CCCCNC(NCCCC[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N
Show InChI InChI=1S/C64H103N21O13/c1-7-8-25-72-64(74-35-65)73-27-12-9-15-43(78-59(95)49(32-41-33-69-36-75-41)83-56(92)45-23-24-52(88)77-45)55(91)84-50(34-86)60(96)82-48(31-40-19-21-42(87)22-20-40)58(94)79-44(17-13-28-71-63(67)68)54(90)81-47(30-37(2)3)57(93)80-46(16-10-11-26-70-38(4)5)62(98)85-29-14-18-51(85)61(97)76-39(6)53(66)89/h19-22,33,36-39,43-51,70,86-87H,7-18,23-32,34H2,1-6H3,(H2,66,89)(H,69,75)(H,76,97)(H,77,88)(H,78,95)(H,79,94)(H,80,93)(H,81,90)(H,82,96)(H,83,92)(H,84,91)(H4,67,68,71)(H2,72,73,74)/t39-,43-,44-,45+,46+,47+,48+,49+,50+,51+/m1/s1
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n/an/an/a 1.20n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50007950
PNG
(CHEMBL439359 | pGlu-His-Trp-Ser-Har(chCN)-DHar(chC...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(NC1CCCCC1)=NC#N)NC(=O)[C@H](CCCCNC(NC1CCCCC1)=NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C76H117N23O12/c1-46(2)37-59(69(106)94-58(29-16-17-33-81-47(3)4)74(111)99-36-20-30-63(99)73(110)88-48(5)65(79)102)95-67(104)56(28-15-19-35-83-76(86-44-78)90-51-23-10-7-11-24-51)92-66(103)55(27-14-18-34-82-75(85-43-77)89-50-21-8-6-9-22-50)93-72(109)62(42-100)98-70(107)60(38-49-40-84-54-26-13-12-25-53(49)54)96-71(108)61(39-52-41-80-45-87-52)97-68(105)57-31-32-64(101)91-57/h12-13,25-26,40-41,45-48,50-51,55-63,81,84,100H,6-11,14-24,27-39,42H2,1-5H3,(H2,79,102)(H,80,87)(H,88,110)(H,91,101)(H,92,103)(H,93,109)(H,94,106)(H,95,104)(H,96,108)(H,97,105)(H,98,107)(H2,82,85,89)(H2,83,86,90)/t48-,55+,56-,57+,58+,59+,60+,61+,62+,63+/m1/s1
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n/an/an/a 1.20n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes


J Med Chem 34: 2395-402 (1991)


Article DOI: 10.1021/jm00112a013
BindingDB Entry DOI: 10.7270/Q2SX6C54
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102435
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Aph(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C83H104ClN17O16/c1-46(2)36-62(74(108)92-61(17-10-11-34-87-47(3)4)82(116)101-35-13-18-70(101)81(115)88-48(5)72(85)106)93-76(110)65(39-52-22-29-59(30-23-52)89-49(6)103)95-78(112)66(40-53-24-31-60(32-25-53)91-73(107)68-43-71(105)100-83(117)99-68)97-80(114)69(45-102)98-79(113)67(42-55-14-12-33-86-44-55)96-77(111)64(38-51-20-27-58(84)28-21-51)94-75(109)63(90-50(7)104)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,44,46-48,61-70,87,102H,10-11,13,17-18,34-36,38-43,45H2,1-7H3,(H2,85,106)(H,88,115)(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,110)(H,94,109)(H,95,112)(H,96,111)(H,97,114)(H,98,113)(H2,99,100,105,117)/t48-,61+,62+,63-,64-,65-,66+,67-,68+,69+,70+/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102446
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(EtCbm)]-D-[Ap...)
Show SMILES CCNC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(=O)NCC)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1
Show InChI InChI=1S/C82H108ClN17O14/c1-9-86-81(113)91-60-32-25-53(26-33-60)42-66(74(106)94-63(39-48(3)4)72(104)93-62(20-13-14-37-88-49(5)6)80(112)100-38-16-21-70(100)79(111)89-50(7)71(84)103)96-76(108)67(43-54-27-34-61(35-28-54)92-82(114)87-10-2)98-78(110)69(47-101)99-77(109)68(45-56-17-15-36-85-46-56)97-75(107)65(41-52-23-30-59(83)31-24-52)95-73(105)64(90-51(8)102)44-55-22-29-57-18-11-12-19-58(57)40-55/h11-12,15,17-19,22-36,40,46,48-50,62-70,88,101H,9-10,13-14,16,20-21,37-39,41-45,47H2,1-8H3,(H2,84,103)(H,89,111)(H,90,102)(H,93,104)(H,94,106)(H,95,105)(H,96,108)(H,97,107)(H,98,110)(H,99,109)(H2,86,91,113)(H2,87,92,114)/t50-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102441
PNG
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C83H105ClN18O16/c1-46(2)35-61(73(108)93-60(16-9-10-33-88-47(3)4)81(116)102-34-12-17-69(102)80(115)90-48(5)71(85)106)94-75(110)63(37-50-18-20-53(21-19-50)44-89-82(86)117)96-77(112)65(39-52-25-30-59(31-26-52)92-72(107)67-42-70(105)101-83(118)100-67)98-79(114)68(45-103)99-78(113)66(41-55-13-11-32-87-43-55)97-76(111)64(38-51-23-28-58(84)29-24-51)95-74(109)62(91-49(6)104)40-54-22-27-56-14-7-8-15-57(56)36-54/h7-8,11,13-15,18-32,36,43,46-48,60-69,88,103H,9-10,12,16-17,33-35,37-42,44-45H2,1-6H3,(H2,85,106)(H,90,115)(H,91,104)(H,92,107)(H,93,108)(H,94,110)(H,95,109)(H,96,112)(H,97,111)(H,98,114)(H,99,113)(H3,86,89,117)(H2,100,101,105,118)/t48-,60+,61+,62-,63-,64-,65+,66-,67-,68+,69+/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50369965
PNG
(CETRORELIX | Cetrotide)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay


J Med Chem 44: 453-67 (2001)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
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