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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50009625   
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
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085756
PNG
(CHEMBL439532 | cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C68H91ClN16O15/c1-37(2)29-49(61(94)79-48(14-9-27-74-68(71)72)67(100)85-28-10-15-55(85)66(99)76-38(3)58(70)91)80-63(96)52(33-42-16-21-43-11-5-6-12-44(43)30-42)82-62(95)51(32-41-19-24-46(88)25-20-41)83-65(98)54(36-86)84-60(93)47-13-7-8-26-73-59(92)50(31-40-17-22-45(69)23-18-40)81-64(97)53(77-39(4)87)34-56(89)75-35-57(90)78-47/h5-6,11-12,16-25,30,37-38,47-55,86,88H,7-10,13-15,26-29,31-36H2,1-4H3,(H2,70,91)(H,73,92)(H,75,89)(H,76,99)(H,77,87)(H,78,90)(H,79,94)(H,80,96)(H,81,97)(H,82,95)(H,83,98)(H,84,93)(H4,71,72,74)/t38?,47-,48+,49-,50-,51+,52?,53?,54+,55-/m1/s1
KEGG

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0.140n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085742
PNG
(CHEMBL414350 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C68H91ClN16O15/c1-37(2)30-49(61(94)79-48(13-8-27-75-68(71)72)67(100)85-29-9-14-55(85)66(99)76-38(3)58(70)91)80-63(96)52(34-42-15-20-43-10-5-6-11-44(43)31-42)82-62(95)51(33-41-18-23-46(88)24-19-41)83-65(98)54(36-86)84-60(93)47-12-7-26-74-59(92)50(32-40-16-21-45(69)22-17-40)81-64(97)53(77-39(4)87)35-57(90)73-28-25-56(89)78-47/h5-6,10-11,15-24,31,37-38,47-55,86,88H,7-9,12-14,25-30,32-36H2,1-4H3,(H2,70,91)(H,73,90)(H,74,92)(H,76,99)(H,77,87)(H,78,89)(H,79,94)(H,80,96)(H,81,97)(H,82,95)(H,83,98)(H,84,93)(H4,71,72,75)/t38?,47-,48+,49-,50-,51+,52?,53?,54+,55-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085761
PNG
(CHEMBL437038 | cyclo(1,1'-3)Ac-D-Asp (Gaba)-D-Cpa-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C67H89ClN16O15/c1-36(2)28-47(59(92)78-46(12-7-26-73-67(70)71)66(99)84-27-9-13-54(84)65(98)75-37(3)57(69)90)79-61(94)50(32-41-15-20-42-10-5-6-11-43(42)29-41)81-60(93)49(31-40-18-23-45(87)24-19-40)82-64(97)53(35-85)83-63(96)52-34-74-58(91)48(30-39-16-21-44(68)22-17-39)80-62(95)51(76-38(4)86)33-56(89)72-25-8-14-55(88)77-52/h5-6,10-11,15-24,29,36-37,46-54,85,87H,7-9,12-14,25-28,30-35H2,1-4H3,(H2,69,90)(H,72,89)(H,74,91)(H,75,98)(H,76,86)(H,77,88)(H,78,92)(H,79,94)(H,80,95)(H,81,93)(H,82,97)(H,83,96)(H4,70,71,73)/t37?,46-,47+,48+,49-,50?,51?,52+,53-,54+/m0/s1
KEGG

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0.180n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085753
PNG
(CHEMBL409996 | cyclo(1-3)Ac-D-Glu-D-Cpa-D-Dbu-Ser-...)
Show SMILES CCCCC1CC(NC(=O)CCC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C69H94ClN15O14/c1-6-7-14-47-36-55(78-58(89)28-27-49(76-40(5)87)60(91)81-52(61(92)77-47)33-41-18-23-46(70)24-19-41)65(96)84-56(37-86)66(97)83-53(34-42-20-25-48(88)26-21-42)63(94)82-54(35-43-17-22-44-12-8-9-13-45(44)32-43)64(95)80-51(31-38(2)3)62(93)79-50(15-10-29-74-69(72)73)68(99)85-30-11-16-57(85)67(98)75-39(4)59(71)90/h8-9,12-13,17-26,32,38-39,47,49-57,86,88H,6-7,10-11,14-16,27-31,33-37H2,1-5H3,(H2,71,90)(H,75,98)(H,76,87)(H,77,92)(H,78,89)(H,79,93)(H,80,95)(H,81,91)(H,82,94)(H,83,97)(H,84,96)(H4,72,73,74)/t39?,47?,49?,50-,51+,52+,53-,54?,55?,56-,57+/m0/s1
KEGG

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0.310n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085757
PNG
(CHEMBL427745 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...)
Show SMILES CCCCC1C[C@@H](NC(=O)CCNC(=O)CC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C71H97ClN16O15/c1-6-7-14-48-36-55(81-59(92)27-29-76-60(93)37-56(79-41(5)90)67(100)84-52(62(95)80-48)33-42-18-23-47(72)24-19-42)66(99)87-57(38-89)68(101)86-53(34-43-20-25-49(91)26-21-43)64(97)85-54(35-44-17-22-45-12-8-9-13-46(45)32-44)65(98)83-51(31-39(2)3)63(96)82-50(15-10-28-77-71(74)75)70(103)88-30-11-16-58(88)69(102)78-40(4)61(73)94/h8-9,12-13,17-26,32,39-40,48,50-58,89,91H,6-7,10-11,14-16,27-31,33-38H2,1-5H3,(H2,73,94)(H,76,93)(H,78,102)(H,79,90)(H,80,95)(H,81,92)(H,82,96)(H,83,98)(H,84,100)(H,85,97)(H,86,101)(H,87,99)(H4,74,75,77)/t40?,48?,50-,51+,52+,53-,54?,55+,56?,57-,58+/m0/s1
KEGG

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0.320n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085746
PNG
(CHEMBL405223 | cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C67H89ClN16O15/c1-36(2)28-48(60(93)78-47(13-8-26-73-67(70)71)66(99)84-27-9-14-54(84)65(98)75-37(3)57(69)90)79-62(95)51(32-41-15-20-42-10-5-6-11-43(42)29-41)81-61(94)50(31-40-18-23-45(87)24-19-40)82-64(97)53(35-85)83-59(92)46-12-7-25-72-58(91)49(30-39-16-21-44(68)22-17-39)80-63(96)52(76-38(4)86)33-55(88)74-34-56(89)77-46/h5-6,10-11,15-24,29,36-37,46-54,85,87H,7-9,12-14,25-28,30-35H2,1-4H3,(H2,69,90)(H,72,91)(H,74,88)(H,75,98)(H,76,86)(H,77,89)(H,78,93)(H,79,95)(H,80,96)(H,81,94)(H,82,97)(H,83,92)(H4,70,71,73)/t37?,46-,47+,48-,49-,50+,51?,52?,53+,54-/m1/s1
KEGG

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0.340n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085751
PNG
(CHEMBL437230 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C66H87ClN16O15/c1-35(2)27-46(58(91)77-45(11-7-24-72-66(69)70)65(98)83-26-8-12-53(83)64(97)74-36(3)56(68)89)78-60(93)49(31-40-13-18-41-9-5-6-10-42(41)28-40)80-59(92)48(30-39-16-21-44(86)22-17-39)81-63(96)52(34-84)82-62(95)51-33-73-57(90)47(29-38-14-19-43(67)20-15-38)79-61(94)50(75-37(4)85)32-55(88)71-25-23-54(87)76-51/h5-6,9-10,13-22,28,35-36,45-53,84,86H,7-8,11-12,23-27,29-34H2,1-4H3,(H2,68,89)(H,71,88)(H,73,90)(H,74,97)(H,75,85)(H,76,87)(H,77,91)(H,78,93)(H,79,94)(H,80,92)(H,81,96)(H,82,95)(H4,69,70,72)/t36?,45-,46+,47+,48-,49?,50?,51+,52-,53+/m0/s1
KEGG

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0.350n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085748
PNG
(CHEMBL407186 | cyclo(1-3)Ac-D-Glu-D-Cpa-D-Lys-Ser-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C67H90ClN15O14/c1-37(2)31-50(61(92)77-49(14-9-29-73-67(70)71)66(97)83-30-10-15-55(83)65(96)74-38(3)57(69)88)78-63(94)53(35-42-16-21-43-11-5-6-12-44(43)32-42)80-62(93)52(34-41-19-24-46(86)25-20-41)81-64(95)54(36-84)82-59(90)47-13-7-8-28-72-58(89)51(33-40-17-22-45(68)23-18-40)79-60(91)48(75-39(4)85)26-27-56(87)76-47/h5-6,11-12,16-25,32,37-38,47-55,84,86H,7-10,13-15,26-31,33-36H2,1-4H3,(H2,69,88)(H,72,89)(H,74,96)(H,75,85)(H,76,87)(H,77,92)(H,78,94)(H,79,91)(H,80,93)(H,81,95)(H,82,90)(H4,70,71,73)/t38?,47-,48?,49+,50-,51-,52+,53?,54+,55-/m1/s1
KEGG

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0.470n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085763
PNG
(CHEMBL264291 | cyclo(1-3)Ac-D-Asp (D-Ala)-D-Cpa-D-...)
Show SMILES CCCCC1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C71H97ClN16O15/c1-7-8-15-48-35-55(82-61(94)40(5)77-59(92)36-56(79-41(6)90)67(100)84-52(62(95)80-48)32-42-19-24-47(72)25-20-42)66(99)87-57(37-89)68(101)86-53(33-43-21-26-49(91)27-22-43)64(97)85-54(34-44-18-23-45-13-9-10-14-46(45)31-44)65(98)83-51(30-38(2)3)63(96)81-50(16-11-28-76-71(74)75)70(103)88-29-12-17-58(88)69(102)78-39(4)60(73)93/h9-10,13-14,18-27,31,38-40,48,50-58,89,91H,7-8,11-12,15-17,28-30,32-37H2,1-6H3,(H2,73,93)(H,77,92)(H,78,102)(H,79,90)(H,80,95)(H,81,96)(H,82,94)(H,83,98)(H,84,100)(H,85,97)(H,86,101)(H,87,99)(H4,74,75,76)/t39?,40-,48?,50+,51-,52-,53+,54?,55-,56?,57+,58-/m1/s1
KEGG

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0.570n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085752
PNG
(CHEMBL436661 | cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D...)
Show SMILES CCCCC1C[C@@H](NC(=O)CNC(=O)CC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C70H95ClN16O15/c1-6-7-14-47-34-54(80-59(92)36-76-58(91)35-55(78-40(5)89)66(99)83-51(61(94)79-47)31-41-18-23-46(71)24-19-41)65(98)86-56(37-88)67(100)85-52(32-42-20-25-48(90)26-21-42)63(96)84-53(33-43-17-22-44-12-8-9-13-45(44)30-43)64(97)82-50(29-38(2)3)62(95)81-49(15-10-27-75-70(73)74)69(102)87-28-11-16-57(87)68(101)77-39(4)60(72)93/h8-9,12-13,17-26,30,38-39,47,49-57,88,90H,6-7,10-11,14-16,27-29,31-37H2,1-5H3,(H2,72,93)(H,76,91)(H,77,101)(H,78,89)(H,79,94)(H,80,92)(H,81,95)(H,82,97)(H,83,99)(H,84,96)(H,85,100)(H,86,98)(H4,73,74,75)/t39?,47?,49-,50+,51+,52-,53?,54+,55?,56-,57+/m0/s1
KEGG

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0.700n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085760
PNG
(CHEMBL262637 | cyclo(1-3)Ac-D-Asp-D-Cpa-D-Lys-Ser-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C66H88ClN15O14/c1-36(2)29-48(59(90)76-47(14-9-27-72-66(69)70)65(96)82-28-10-15-54(82)64(95)73-37(3)56(68)87)77-61(92)51(33-41-16-21-42-11-5-6-12-43(42)30-41)79-60(91)50(32-40-19-24-45(85)25-20-40)80-63(94)53(35-83)81-58(89)46-13-7-8-26-71-57(88)49(31-39-17-22-44(67)23-18-39)78-62(93)52(74-38(4)84)34-55(86)75-46/h5-6,11-12,16-25,30,36-37,46-54,83,85H,7-10,13-15,26-29,31-35H2,1-4H3,(H2,68,87)(H,71,88)(H,73,95)(H,74,84)(H,75,86)(H,76,90)(H,77,92)(H,78,93)(H,79,91)(H,80,94)(H,81,89)(H4,69,70,72)/t37?,46?,47-,48+,49+,50-,51?,52?,53-,54+/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085744
PNG
(CHEMBL430344 | dicyclo(1-3, 4-10)Ac-D-Asp-D-Cpa-D-...)
Show SMILES CC(C)C[C@@H]1NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)NC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)N1)NC(C)=O
Show InChI InChI=1S/C67H86ClN15O15/c1-36(2)28-47-59(90)77-46(13-8-26-72-67(69)70)65(96)83-27-9-14-54(83)64(95)73-35-53(66(97)98)76-56(87)34-52(63(94)80-49(31-39-18-23-44(85)24-19-39)60(91)81-50(61(92)78-47)32-40-15-20-41-10-4-5-11-42(41)29-40)82-58(89)45-12-6-7-25-71-57(88)48(30-38-16-21-43(68)22-17-38)79-62(93)51(74-37(3)84)33-55(86)75-45/h4-5,10-11,15-24,29,36,45-54,85H,6-9,12-14,25-28,30-35H2,1-3H3,(H,71,88)(H,73,95)(H,74,84)(H,75,86)(H,76,87)(H,77,90)(H,78,92)(H,79,93)(H,80,94)(H,81,91)(H,82,89)(H,97,98)(H4,69,70,72)/t45?,46-,47+,48-,49+,50?,51?,52+,53?,54+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085758
PNG
(CHEMBL410558 | cyclo(1,1'-3)Ac-D-Glu (Gly)-D-Cpa-D...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CCC(=O)NCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C69H93ClN16O15/c1-38(2)31-51(63(96)80-50(14-9-29-75-69(72)73)68(101)86-30-10-15-56(86)67(100)77-39(3)59(71)92)81-65(98)54(35-43-16-21-44-11-5-6-12-45(44)32-43)83-64(97)53(34-42-19-24-47(89)25-20-42)84-66(99)55(37-87)85-61(94)48-13-7-8-28-74-60(93)52(33-41-17-22-46(70)23-18-41)82-62(95)49(78-40(4)88)26-27-57(90)76-36-58(91)79-48/h5-6,11-12,16-25,32,38-39,48-56,87,89H,7-10,13-15,26-31,33-37H2,1-4H3,(H2,71,92)(H,74,93)(H,76,90)(H,77,100)(H,78,88)(H,79,91)(H,80,96)(H,81,98)(H,82,95)(H,83,97)(H,84,99)(H,85,94)(H4,72,73,75)/t39?,48-,49?,50+,51-,52-,53+,54?,55+,56-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085750
PNG
(CHEMBL406214 | cyclo(1-3)Ac-D-Asp-D-Cpa-D-Orn-Ser-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C65H86ClN15O14/c1-35(2)28-47(58(89)75-46(13-8-26-71-65(68)69)64(95)81-27-9-14-53(81)63(94)72-36(3)55(67)86)76-60(91)50(32-40-15-20-41-10-5-6-11-42(41)29-40)78-59(90)49(31-39-18-23-44(84)24-19-39)79-62(93)52(34-82)80-57(88)45-12-7-25-70-56(87)48(30-38-16-21-43(66)22-17-38)77-61(92)51(73-37(4)83)33-54(85)74-45/h5-6,10-11,15-24,29,35-36,45-53,82,84H,7-9,12-14,25-28,30-34H2,1-4H3,(H2,67,86)(H,70,87)(H,72,94)(H,73,83)(H,74,85)(H,75,89)(H,76,91)(H,77,92)(H,78,90)(H,79,93)(H,80,88)(H4,68,69,71)/t36?,45?,46-,47+,48+,49-,50?,51?,52-,53+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085759
PNG
(CHEMBL406626 | cyclo(1-3)Ac-D-Dpr-D-Cpa-D-Asp-Ser-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C1CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCC(NC(C)=O)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C63H82ClN15O14/c1-33(2)25-44(55(86)73-43(11-7-23-68-63(66)67)62(93)79-24-8-12-51(79)61(92)70-34(3)53(65)84)74-57(88)47(29-38-13-18-39-9-5-6-10-40(39)26-38)75-56(87)46(28-37-16-21-42(82)22-17-37)76-60(91)50(32-80)78-58(89)48-30-52(83)72-45(27-36-14-19-41(64)20-15-36)54(85)69-31-49(59(90)77-48)71-35(4)81/h5-6,9-10,13-22,26,33-34,43-51,80,82H,7-8,11-12,23-25,27-32H2,1-4H3,(H2,65,84)(H,69,85)(H,70,92)(H,71,81)(H,72,83)(H,73,86)(H,74,88)(H,75,87)(H,76,91)(H,77,90)(H,78,89)(H4,66,67,68)/t34?,43-,44+,45-,46-,47?,48?,49?,50-,51+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085767
PNG
(CHEMBL262106 | cyclo(1,1'-3)Ac-D-Asp (Ala)-D-Cpa-D...)
Show SMILES CCCCC1C[C@@H](NC(=O)C(C)NC(=O)CC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C71H97ClN16O15/c1-7-8-15-48-35-55(82-61(94)40(5)77-59(92)36-56(79-41(6)90)67(100)84-52(62(95)80-48)32-42-19-24-47(72)25-20-42)66(99)87-57(37-89)68(101)86-53(33-43-21-26-49(91)27-22-43)64(97)85-54(34-44-18-23-45-13-9-10-14-46(45)31-44)65(98)83-51(30-38(2)3)63(96)81-50(16-11-28-76-71(74)75)70(103)88-29-12-17-58(88)69(102)78-39(4)60(73)93/h9-10,13-14,18-27,31,38-40,48,50-58,89,91H,7-8,11-12,15-17,28-30,32-37H2,1-6H3,(H2,73,93)(H,77,92)(H,78,102)(H,79,90)(H,80,95)(H,81,96)(H,82,94)(H,83,98)(H,84,100)(H,85,97)(H,86,101)(H,87,99)(H4,74,75,76)/t39?,40?,48?,50-,51+,52+,53-,54?,55+,56?,57-,58+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085741
PNG
(CHEMBL407082 | cyclo(1,1'-3)Ac-D-Glu (beta-Ala)-D-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CCC(=O)NCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C70H95ClN16O15/c1-39(2)33-52(64(97)81-51(14-9-30-77-70(73)74)69(102)87-32-10-15-57(87)68(101)78-40(3)60(72)93)82-66(99)55(37-44-16-21-45-11-5-6-12-46(45)34-44)84-65(98)54(36-43-19-24-48(90)25-20-43)85-67(100)56(38-88)86-62(95)49-13-7-8-29-76-61(94)53(35-42-17-22-47(71)23-18-42)83-63(96)50(79-41(4)89)26-27-58(91)75-31-28-59(92)80-49/h5-6,11-12,16-25,34,39-40,49-57,88,90H,7-10,13-15,26-33,35-38H2,1-4H3,(H2,72,93)(H,75,91)(H,76,94)(H,78,101)(H,79,89)(H,80,92)(H,81,97)(H,82,99)(H,83,96)(H,84,98)(H,85,100)(H,86,95)(H4,73,74,77)/t40?,49-,50?,51+,52-,53-,54+,55?,56+,57-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085743
PNG
(CHEMBL404991 | cyclo(1,1'-3)Ac-D-Orn (beta-Ala)-D-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C1CC(=O)NCCC(=O)NCCCC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C68H91ClN16O15/c1-37(2)30-49(60(93)78-48(13-8-27-75-68(71)72)67(100)85-29-9-14-55(85)66(99)76-38(3)58(70)91)79-63(96)52(34-42-15-20-43-10-5-6-11-44(43)31-42)81-61(94)51(33-41-18-23-46(88)24-19-41)82-65(98)54(36-86)84-64(97)53-35-57(90)74-28-25-56(89)73-26-7-12-47(77-39(4)87)59(92)80-50(62(95)83-53)32-40-16-21-45(69)22-17-40/h5-6,10-11,15-24,31,37-38,47-55,86,88H,7-9,12-14,25-30,32-36H2,1-4H3,(H2,70,91)(H,73,89)(H,74,90)(H,76,99)(H,77,87)(H,78,93)(H,79,96)(H,80,92)(H,81,94)(H,82,98)(H,83,95)(H,84,97)(H4,71,72,75)/t38?,47?,48-,49+,50+,51-,52?,53?,54-,55+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085755
PNG
(CHEMBL405781 | cyclo(1,1'-3)Ac-D-Asp (D-Ala)-D-Cpa...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)N[C@H](C)C(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C68H91ClN16O15/c1-36(2)29-49(61(94)79-48(14-9-27-74-68(71)72)67(100)85-28-10-15-55(85)66(99)76-37(3)57(70)90)80-63(96)52(33-42-16-21-43-11-6-7-12-44(43)30-42)82-62(95)51(32-41-19-24-46(88)25-20-41)83-65(98)54(35-86)84-60(93)47-13-8-26-73-59(92)50(31-40-17-22-45(69)23-18-40)81-64(97)53(77-39(5)87)34-56(89)75-38(4)58(91)78-47/h6-7,11-12,16-25,30,36-38,47-55,86,88H,8-10,13-15,26-29,31-35H2,1-5H3,(H2,70,90)(H,73,92)(H,75,89)(H,76,99)(H,77,87)(H,78,91)(H,79,94)(H,80,96)(H,81,97)(H,82,95)(H,83,98)(H,84,93)(H4,71,72,74)/t37?,38-,47-,48+,49-,50-,51+,52?,53?,54+,55-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085749
PNG
(CHEMBL410999 | cyclo(1,1'-3)Ac-D-Asp (Ala)-D-Cpa-D...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NC(C)C(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C68H91ClN16O15/c1-36(2)29-49(61(94)79-48(14-9-27-74-68(71)72)67(100)85-28-10-15-55(85)66(99)76-37(3)57(70)90)80-63(96)52(33-42-16-21-43-11-6-7-12-44(43)30-42)82-62(95)51(32-41-19-24-46(88)25-20-41)83-65(98)54(35-86)84-60(93)47-13-8-26-73-59(92)50(31-40-17-22-45(69)23-18-40)81-64(97)53(77-39(5)87)34-56(89)75-38(4)58(91)78-47/h6-7,11-12,16-25,30,36-38,47-55,86,88H,8-10,13-15,26-29,31-35H2,1-5H3,(H2,70,90)(H,73,92)(H,75,89)(H,76,99)(H,77,87)(H,78,91)(H,79,94)(H,80,96)(H,81,97)(H,82,95)(H,83,98)(H,84,93)(H4,71,72,74)/t37?,38?,47-,48+,49-,50-,51+,52?,53?,54+,55-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085765
PNG
(CHEMBL410003 | cyclo(1,1'-3)Ac-D-Glu-D-Cpa-D-Orn-S...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CCC(=O)NCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C68H91ClN16O15/c1-37(2)30-50(62(95)79-49(13-8-28-74-68(71)72)67(100)85-29-9-14-55(85)66(99)76-38(3)58(70)91)80-64(97)53(34-42-15-20-43-10-5-6-11-44(43)31-42)82-63(96)52(33-41-18-23-46(88)24-19-41)83-65(98)54(36-86)84-60(93)47-12-7-27-73-59(92)51(32-40-16-21-45(69)22-17-40)81-61(94)48(77-39(4)87)25-26-56(89)75-35-57(90)78-47/h5-6,10-11,15-24,31,37-38,47-55,86,88H,7-9,12-14,25-30,32-36H2,1-4H3,(H2,70,91)(H,73,92)(H,75,89)(H,76,99)(H,77,87)(H,78,90)(H,79,95)(H,80,97)(H,81,94)(H,82,96)(H,83,98)(H,84,93)(H4,71,72,74)/t38?,47-,48?,49+,50-,51-,52+,53?,54+,55-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085762
PNG
(CHEMBL410198 | tricyclo(1-3/4-10/5-8)Ac-D-Glu-D-Cp...)
Show SMILES CC(C)C[C@@H]1NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C2CCC(=O)NCCCCC(NC1=O)C(=O)N1CCC[C@@H]1C(=O)NCC(NC(=O)C[C@@H](NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C(CCC(=O)N1)NC(C)=O)C(=O)N2)C(O)=O
Show InChI InChI=1S/C64H84ClN13O15/c1-35(2)29-46-59(87)73-45-14-7-8-26-66-52(80)24-22-44(58(86)76-48(60(88)74-46)32-38-16-19-39-11-4-5-12-40(39)30-38)72-61(89)49(33-54(82)71-50(64(92)93)34-68-62(90)51-15-10-28-78(51)63(45)91)77-56(84)42-13-6-9-27-67-55(83)47(31-37-17-20-41(65)21-18-37)75-57(85)43(69-36(3)79)23-25-53(81)70-42/h4-5,11-12,16-21,30,35,42-51H,6-10,13-15,22-29,31-34H2,1-3H3,(H,66,80)(H,67,83)(H,68,90)(H,69,79)(H,70,81)(H,71,82)(H,72,89)(H,73,87)(H,74,88)(H,75,85)(H,76,86)(H,77,84)(H,92,93)/t42-,43?,44?,45?,46+,47-,48?,49-,50?,51-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085766
PNG
(CHEMBL413895 | cyclo(1-3)Ac-D-Glu-D-Cpa-D-Orn-Ser-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C66H88ClN15O14/c1-36(2)30-49(60(91)76-48(13-8-28-72-66(69)70)65(96)82-29-9-14-54(82)64(95)73-37(3)56(68)87)77-62(93)52(34-41-15-20-42-10-5-6-11-43(42)31-41)79-61(92)51(33-40-18-23-45(85)24-19-40)80-63(94)53(35-83)81-58(89)46-12-7-27-71-57(88)50(32-39-16-21-44(67)22-17-39)78-59(90)47(74-38(4)84)25-26-55(86)75-46/h5-6,10-11,15-24,31,36-37,46-54,83,85H,7-9,12-14,25-30,32-35H2,1-4H3,(H2,68,87)(H,71,88)(H,73,95)(H,74,84)(H,75,86)(H,76,91)(H,77,93)(H,78,90)(H,79,92)(H,80,94)(H,81,89)(H4,69,70,72)/t37?,46-,47?,48+,49-,50-,51+,52?,53+,54-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085764
PNG
(CHEMBL410196 | cyclo(1,1'-3)Ac-D-Glu (Gly)-D-Cpa-D...)
Show SMILES CCCCC1C[C@@H](NC(=O)CNC(=O)CCC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C71H97ClN16O15/c1-6-7-14-48-36-56(81-60(93)37-77-59(92)28-27-50(79-41(5)90)62(95)84-53(63(96)80-48)33-42-18-23-47(72)24-19-42)67(100)87-57(38-89)68(101)86-54(34-43-20-25-49(91)26-21-43)65(98)85-55(35-44-17-22-45-12-8-9-13-46(45)32-44)66(99)83-52(31-39(2)3)64(97)82-51(15-10-29-76-71(74)75)70(103)88-30-11-16-58(88)69(102)78-40(4)61(73)94/h8-9,12-13,17-26,32,39-40,48,50-58,89,91H,6-7,10-11,14-16,27-31,33-38H2,1-5H3,(H2,73,94)(H,77,92)(H,78,102)(H,79,90)(H,80,96)(H,81,93)(H,82,97)(H,83,99)(H,84,95)(H,85,98)(H,86,101)(H,87,100)(H4,74,75,76)/t40?,48?,50?,51-,52+,53+,54-,55?,56+,57-,58+/m0/s1
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20.3n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085747
PNG
(CHEMBL268108 | cyclo(1-3)Ac-D-Glu-D-Cpa-D-Dbu-Ser-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C60H91ClN18O14/c1-32(2)28-43(54(89)74-42(12-8-26-69-60(65)66)58(93)79-27-9-13-47(79)57(92)70-33(3)49(62)84)75-52(87)40(11-7-25-68-59(63)64)73-55(90)45(30-36-16-20-38(82)21-17-36)77-56(91)46(31-80)78-51(86)39-10-5-6-24-67-50(85)44(29-35-14-18-37(61)19-15-35)76-53(88)41(71-34(4)81)22-23-48(83)72-39/h14-21,32-33,39-47,80,82H,5-13,22-31H2,1-4H3,(H2,62,84)(H,67,85)(H,70,92)(H,71,81)(H,72,83)(H,73,90)(H,74,89)(H,75,87)(H,76,88)(H,77,91)(H,78,86)(H4,63,64,68)(H4,65,66,69)/t33?,39-,40?,41?,42+,43-,44-,45+,46+,47-/m1/s1
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31n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085745
PNG
(CHEMBL384865 | cyclo(1-3)Ac-Asp-D-Cpa-Dpr-Ser-Tyr-...)
Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C1CNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C63H82ClN15O14/c1-33(2)25-44(55(86)73-43(11-7-23-68-63(66)67)62(93)79-24-8-12-51(79)61(92)70-34(3)53(65)84)74-57(88)47(29-38-13-18-39-9-5-6-10-40(39)26-38)76-56(87)46(28-37-16-21-42(82)22-17-37)77-60(91)50(32-80)78-59(90)49-31-69-54(85)45(27-36-14-19-41(64)20-15-36)75-58(89)48(71-35(4)81)30-52(83)72-49/h5-6,9-10,13-22,26,33-34,43-51,80,82H,7-8,11-12,23-25,27-32H2,1-4H3,(H2,65,84)(H,69,85)(H,70,92)(H,71,81)(H,72,83)(H,73,86)(H,74,88)(H,75,89)(H,76,87)(H,77,91)(H,78,90)(H4,66,67,68)/t34?,43-,44+,45+,46-,47?,48?,49?,50-,51+/m0/s1
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31n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085754
PNG
(CHEMBL402697 | cyclo(1,1'-3)Ac-D-Asp (Ala)-D-Cpa-D...)
Show SMILES CC(C)C[C@@H](NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NC(C)C(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
Show InChI InChI=1S/C61H92ClN19O15/c1-31(2)26-42(54(91)76-41(12-8-24-70-61(66)67)59(96)81-25-9-13-47(81)58(95)72-32(3)49(63)86)77-52(89)40(11-7-23-69-60(64)65)75-55(92)44(28-36-16-20-38(84)21-17-36)79-57(94)46(30-82)80-53(90)39-10-6-22-68-51(88)43(27-35-14-18-37(62)19-15-35)78-56(93)45(73-34(5)83)29-48(85)71-33(4)50(87)74-39/h14-21,31-33,39-47,82,84H,6-13,22-30H2,1-5H3,(H2,63,86)(H,68,88)(H,71,85)(H,72,95)(H,73,83)(H,74,87)(H,75,92)(H,76,91)(H,77,89)(H,78,93)(H,79,94)(H,80,90)(H4,64,65,69)(H4,66,67,70)/t32?,33?,39-,40?,41+,42-,43-,44+,45?,46+,47-/m1/s1
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350n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293


J Med Chem 43: 797-806 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QD5
More data for this
Ligand-Target Pair