Found 43 hits of kd for UniProtKB: P30968 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50369965
(CETRORELIX | Cetrotide)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](-[#7])=O |r| 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 | PDB
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UniProtKB/SwissProt
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 0.00200 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50369965
(CETRORELIX | Cetrotide)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](-[#7])=O |r| 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 | PDB
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 0.135 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50000007
(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 | PDB
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PC cid
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| n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor |
J Med Chem 35: 4270-8 (1992)
BindingDB Entry DOI: 10.7270/Q29W0CM0 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50000003
(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 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor |
J Med Chem 35: 4270-8 (1992)
BindingDB Entry DOI: 10.7270/Q29W0CM0 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102433
(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 | PDB
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UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
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| PubMed
| n/a | n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50000006
(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 | PDB
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CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor |
J Med Chem 35: 4270-8 (1992)
BindingDB Entry DOI: 10.7270/Q29W0CM0 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50347982
(CHEMBL1800159)Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C Show InChI InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40) | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | 0.372 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50000001
(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 | PDB
KEGG
UniProtKB/SwissProt
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PC cid
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UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor |
J Med Chem 35: 4270-8 (1992)
BindingDB Entry DOI: 10.7270/Q29W0CM0 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102454
(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 |w:91.96,109.115| 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 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102451
(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 | PDB
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| n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102434
(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 | PDB
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| n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102437
(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 | PDB
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| n/a | n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102450
(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 | PDB
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| n/a | n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102448
(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 | PDB
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| n/a | n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102447
(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 | PDB
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| n/a | n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102432
(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 | PDB
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| n/a | n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50000004
(CHEMBL2370808 | [Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Arg-(...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#7])=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 | PDB
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| n/a | n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor |
J Med Chem 35: 4270-8 (1992)
BindingDB Entry DOI: 10.7270/Q29W0CM0 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102445
(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 | PDB
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| n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102453
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102442
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102458
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50347982
(CHEMBL1800159)Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C Show InChI InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40) | PDB
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| n/a | n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50000002
(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 | PDB
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Salk Institute
Curated by ChEMBL
| Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor |
J Med Chem 35: 4270-8 (1992)
BindingDB Entry DOI: 10.7270/Q29W0CM0 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50000005
(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 | PDB
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Salk Institute
Curated by ChEMBL
| Assay Description
The binding affinity towards Gonadotropin-releasing hormone receptor |
J Med Chem 35: 4270-8 (1992)
BindingDB Entry DOI: 10.7270/Q29W0CM0 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102438
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102461
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102439
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102467
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102444
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50274930
((R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC([O-])=O)c2ccccc2)c1=O |r,wD:29.31,(30.28,-13.89,;28.95,-14.65,;27.62,-13.88,;27.62,-12.34,;26.28,-11.56,;24.95,-12.33,;24.95,-13.87,;26.28,-14.64,;26.27,-16.18,;23.62,-14.63,;23.62,-16.17,;24.95,-16.94,;22.29,-16.93,;22.29,-18.47,;23.62,-19.24,;24.95,-18.47,;26.27,-17.69,;26.28,-19.24,;26.28,-20.78,;24.95,-21.55,;23.62,-20.78,;22.28,-21.55,;20.94,-22.31,;23.04,-22.89,;21.52,-20.21,;20.96,-16.17,;19.63,-16.94,;20.96,-14.63,;19.63,-13.86,;18.29,-14.64,;18.3,-16.18,;16.97,-16.95,;16.97,-18.49,;15.64,-19.27,;15.64,-20.81,;14.31,-21.58,;16.98,-21.57,;16.96,-13.87,;16.95,-12.33,;15.62,-11.57,;14.28,-12.35,;14.29,-13.88,;15.63,-14.64,;22.29,-13.85,;22.29,-12.31,)| Show InChI InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/p-1/t25-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50369965
(CETRORELIX | Cetrotide)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](-[#7])=O |r| 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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102446
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102435
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102441
(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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102443
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Cbm)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(N)=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/C78H100ClN17O14/c1-44(2)35-59(68(100)89-58(16-9-10-33-84-45(3)4)76(108)96-34-12-17-66(96)75(107)85-46(5)67(80)99)90-70(102)62(38-49-21-28-56(29-22-49)87-77(81)109)92-72(104)63(39-50-23-30-57(31-24-50)88-78(82)110)94-74(106)65(43-97)95-73(105)64(41-52-13-11-32-83-42-52)93-71(103)61(37-48-19-26-55(79)27-20-48)91-69(101)60(86-47(6)98)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,84,97H,9-10,12,16-17,33-35,37-41,43H2,1-6H3,(H2,80,99)(H,85,107)(H,86,98)(H,89,100)(H,90,102)(H,91,101)(H,92,104)(H,93,103)(H,94,106)(H,95,105)(H3,81,87,109)(H3,82,88,110)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66+/m1/s1 | PDB
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Curated by ChEMBL
| Assay Description
Competitive antagonism of GnRH-induced response in the reporter gene assay |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50209591
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Atz)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(Nc2nnc(N)[nH]2)cc1)NC(=O)[C@H](Cc1ccc(Nc2nnc(N)[nH]2)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/C80H102ClN23O12/c1-44(2)35-59(68(108)91-58(16-9-10-33-86-45(3)4)76(116)104-34-12-17-66(104)75(115)87-46(5)67(82)107)92-70(110)62(38-49-21-28-56(29-22-49)89-79-98-77(83)100-102-79)94-72(112)63(39-50-23-30-57(31-24-50)90-80-99-78(84)101-103-80)96-74(114)65(43-105)97-73(113)64(41-52-13-11-32-85-42-52)95-71(111)61(37-48-19-26-55(81)27-20-48)93-69(109)60(88-47(6)106)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,86,105H,9-10,12,16-17,33-35,37-41,43H2,1-6H3,(H2,82,107)(H,87,115)(H,88,106)(H,91,108)(H,92,110)(H,93,109)(H,94,112)(H,95,111)(H,96,114)(H,97,113)(H4,83,89,98,100,102)(H4,84,90,99,101,103)/t46-,58-,59-,60-,61-,62+,63-,64+,65-,66-/m0/s1 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102459
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102466
(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(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 | PDB
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| n/a | n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102449
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-Pal-L...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1cccnc1)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/C80H100ClN17O15/c1-45(2)34-59(71(104)89-58(18-9-10-32-85-46(3)4)79(112)98-33-13-19-67(98)78(111)86-47(5)69(82)102)90-75(108)63(39-52-14-11-30-83-42-52)92-74(107)62(37-50-23-28-57(29-24-50)88-70(103)65-41-68(101)97-80(113)96-65)94-77(110)66(44-99)95-76(109)64(40-53-15-12-31-84-43-53)93-73(106)61(36-49-21-26-56(81)27-22-49)91-72(105)60(87-48(6)100)38-51-20-25-54-16-7-8-17-55(54)35-51/h7-8,11-12,14-17,20-31,35,42-43,45-47,58-67,85,99H,9-10,13,18-19,32-34,36-41,44H2,1-6H3,(H2,82,102)(H,86,111)(H,87,100)(H,88,103)(H,89,104)(H,90,108)(H,91,105)(H,92,107)(H,93,106)(H,94,110)(H,95,109)(H2,96,97,101,113)/t47-,58+,59+,60-,61-,62+,63-,64-,65-,66+,67+/m1/s1 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102456
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Aph(A...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=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/C80H102ClN15O14/c1-46(2)37-63(72(102)89-62(18-11-12-35-84-47(3)4)80(110)96-36-14-19-70(96)79(109)85-48(5)71(82)101)90-74(104)66(40-53-23-30-60(31-24-53)86-49(6)98)92-76(106)67(41-54-25-32-61(33-26-54)87-50(7)99)94-78(108)69(45-97)95-77(107)68(43-56-15-13-34-83-44-56)93-75(105)65(39-52-21-28-59(81)29-22-52)91-73(103)64(88-51(8)100)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,84,97H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,101)(H,85,109)(H,86,98)(H,87,99)(H,88,100)(H,89,102)(H,90,104)(H,91,103)(H,92,106)(H,93,105)(H,94,108)(H,95,107)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50274930
((R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC([O-])=O)c2ccccc2)c1=O |r,wD:29.31,(30.28,-13.89,;28.95,-14.65,;27.62,-13.88,;27.62,-12.34,;26.28,-11.56,;24.95,-12.33,;24.95,-13.87,;26.28,-14.64,;26.27,-16.18,;23.62,-14.63,;23.62,-16.17,;24.95,-16.94,;22.29,-16.93,;22.29,-18.47,;23.62,-19.24,;24.95,-18.47,;26.27,-17.69,;26.28,-19.24,;26.28,-20.78,;24.95,-21.55,;23.62,-20.78,;22.28,-21.55,;20.94,-22.31,;23.04,-22.89,;21.52,-20.21,;20.96,-16.17,;19.63,-16.94,;20.96,-14.63,;19.63,-13.86,;18.29,-14.64,;18.3,-16.18,;16.97,-16.95,;16.97,-18.49,;15.64,-19.27,;15.64,-20.81,;14.31,-21.58,;16.98,-21.57,;16.96,-13.87,;16.95,-12.33,;15.62,-11.57,;14.28,-12.35,;14.29,-13.88,;15.63,-14.64,;22.29,-13.85,;22.29,-12.31,)| Show InChI InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/p-1/t25-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50548493
(BAY-784)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F | PDB
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TBA
| Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50548493
(BAY-784)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F | PDB
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TBA
| Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9 |
More data for this
Ligand-Target Pair | |
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