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PubMed code 12419385

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
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 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121081
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@@H](CC1)C(N)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H40N2O3/c1-18-14-23-24(29(4,5)13-12-28(23,2)3)16-21(18)15-22-10-11-25(34-22)27(33)31-17-19-6-8-20(9-7-19)26(30)32/h10-11,14,16,19-20H,6-9,12-13,15,17H2,1-5H3,(H2,30,32)(H,31,33)/t19-,20-
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121090
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@H](CNC(N)=N)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34)/t20-,21-
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121103
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CC1)C#N)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H38N2O2/c1-19-14-24-25(29(4,5)13-12-28(24,2)3)16-22(19)15-23-10-11-26(33-23)27(32)31-18-21-8-6-20(17-30)7-9-21/h10-11,14,16,20-21H,6-9,12-13,15,18H2,1-5H3,(H,31,32)
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121096
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(CNC(=O)C(F)(F)F)C1)C(C)(C)CCC2(C)C
Show InChI InChI=1/C31H41F3N2O3/c1-19-13-24-25(30(4,5)12-11-29(24,2)3)16-22(19)15-23-9-10-26(39-23)27(37)35-17-20-7-6-8-21(14-20)18-36-28(38)31(32,33)34/h9-10,13,16,20-21H,6-8,11-12,14-15,17-18H2,1-5H3,(H,35,37)(H,36,38)
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121087
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNCc3cc(=O)[nH]c(=O)[nH]3)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C34H46N4O4/c1-21-14-27-28(34(4,5)13-12-33(27,2)3)16-24(21)15-26-10-11-29(42-26)31(40)36-19-23-8-6-22(7-9-23)18-35-20-25-17-30(39)38-32(41)37-25/h10-11,14,16-17,22-23,35H,6-9,12-13,15,18-20H2,1-5H3,(H,36,40)(H2,37,38,39,41)
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24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121099
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES COC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1
Show InChI InChI=1S/C30H41NO4/c1-19-15-24-25(30(4,5)14-13-29(24,2)3)17-22(19)16-23-11-12-26(35-23)27(32)31-18-20-7-9-21(10-8-20)28(33)34-6/h11-12,15,17,20-21H,7-10,13-14,16,18H2,1-6H3,(H,31,32)/t20-,21-
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24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121091
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@@H]1CC[C@H](CNC(N)=N)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34)/t20-,21+
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50224310
PNG
(5-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CN=C(N)N)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34)
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121086
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CN)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H42N2O2/c1-19-14-24-25(29(4,5)13-12-28(24,2)3)16-22(19)15-23-10-11-26(33-23)27(32)31-18-21-8-6-20(17-30)7-9-21/h10-11,14,16,20-21H,6-9,12-13,15,17-18,30H2,1-5H3,(H,31,32)
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42n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121085
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CCOC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1
Show InChI InChI=1S/C31H43NO4/c1-7-35-29(34)22-10-8-21(9-11-22)19-32-28(33)27-13-12-24(36-27)17-23-18-26-25(16-20(23)2)30(3,4)14-15-31(26,5)6/h12-13,16,18,21-22H,7-11,14-15,17,19H2,1-6H3,(H,32,33)/t21-,22-
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51n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121097
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C32H46N2O4/c1-21-17-25-26(32(7,8)14-13-31(25,5)6)19-23(21)18-24-9-10-27(37-24)28(35)33-20-22-11-15-34(16-12-22)29(36)38-30(2,3)4/h9-10,17,19,22H,11-16,18,20H2,1-8H3,(H,33,35)
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54n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121100
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cnc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cn1
Show InChI InChI=1S/C27H33N3O2/c1-17-11-22-23(27(5,6)10-9-26(22,3)4)13-19(17)12-21-7-8-24(32-21)25(31)30-16-20-15-28-18(2)14-29-20/h7-8,11,13-15H,9-10,12,16H2,1-6H3,(H,30,31)
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55n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121100
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cnc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cn1
Show InChI InChI=1S/C27H33N3O2/c1-17-11-22-23(27(5,6)10-9-26(22,3)4)13-19(17)12-21-7-8-24(32-21)25(31)30-16-20-15-28-18(2)14-29-20/h7-8,11,13-15H,9-10,12,16H2,1-6H3,(H,30,31)
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56n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121092
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1ccc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cc1
Show InChI InChI=1S/C29H35NO2/c1-19-7-9-21(10-8-19)18-30-27(31)26-12-11-23(32-26)16-22-17-25-24(15-20(22)2)28(3,4)13-14-29(25,5)6/h7-12,15,17H,13-14,16,18H2,1-6H3,(H,30,31)
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60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121089
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNC(=O)C(F)(F)F)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C31H41F3N2O3/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(39-23)27(37)35-17-20-6-8-21(9-7-20)18-36-28(38)31(32,33)34/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,35,37)(H,36,38)
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66n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121093
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES CN(C)Cc1ccc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cc1
Show InChI InChI=1S/C31H40N2O2/c1-21-16-26-27(31(4,5)15-14-30(26,2)3)18-24(21)17-25-12-13-28(35-25)29(34)32-19-22-8-10-23(11-9-22)20-33(6)7/h8-13,16,18H,14-15,17,19-20H2,1-7H3,(H,32,34)
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79n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121092
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1ccc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cc1
Show InChI InChI=1S/C29H35NO2/c1-19-7-9-21(10-8-19)18-30-27(31)26-12-11-23(32-26)16-22-17-25-24(15-20(22)2)28(3,4)13-14-29(25,5)6/h7-12,15,17H,13-14,16,18H2,1-6H3,(H,30,31)
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83n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121082
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CN)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H36N2O2/c1-19-13-24-25(29(4,5)12-11-28(24,2)3)16-22(19)15-23-9-10-26(33-23)27(32)31-18-21-8-6-7-20(14-21)17-30/h6-10,13-14,16H,11-12,15,17-18,30H2,1-5H3,(H,31,32)
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91n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121082
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CN)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H36N2O2/c1-19-13-24-25(29(4,5)12-11-28(24,2)3)16-22(19)15-23-9-10-26(33-23)27(32)31-18-21-8-6-7-20(14-21)17-30/h6-10,13-14,16H,11-12,15,17-18,30H2,1-5H3,(H,31,32)
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94n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121101
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccccc1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C28H33NO2/c1-19-15-23-24(28(4,5)14-13-27(23,2)3)17-21(19)16-22-11-12-25(31-22)26(30)29-18-20-9-7-6-8-10-20/h6-12,15,17H,13-14,16,18H2,1-5H3,(H,29,30)
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102n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121093
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES CN(C)Cc1ccc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cc1
Show InChI InChI=1S/C31H40N2O2/c1-21-16-26-27(31(4,5)15-14-30(26,2)3)18-24(21)17-25-12-13-28(35-25)29(34)32-19-22-8-10-23(11-9-22)20-33(6)7/h8-13,16,18H,14-15,17,19-20H2,1-7H3,(H,32,34)
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121094
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccc(CN)cc1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H36N2O2/c1-19-14-24-25(29(4,5)13-12-28(24,2)3)16-22(19)15-23-10-11-26(33-23)27(32)31-18-21-8-6-20(17-30)7-9-21/h6-11,14,16H,12-13,15,17-18,30H2,1-5H3,(H,31,32)
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121083
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(CN)C1)C(C)(C)CCC2(C)C
Show InChI InChI=1/C29H42N2O2/c1-19-13-24-25(29(4,5)12-11-28(24,2)3)16-22(19)15-23-9-10-26(33-23)27(32)31-18-21-8-6-7-20(14-21)17-30/h9-10,13,16,20-21H,6-8,11-12,14-15,17-18,30H2,1-5H3,(H,31,32)
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174n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121084
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1noc(C)c1CNCC1CCC(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1
Show InChI InChI=1S/C35H49N3O3/c1-22-16-30-31(35(6,7)15-14-34(30,4)5)18-27(22)17-28-12-13-32(40-28)33(39)37-20-26-10-8-25(9-11-26)19-36-21-29-23(2)38-41-24(29)3/h12-13,16,18,25-26,36H,8-11,14-15,17,19-21H2,1-7H3,(H,37,39)
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180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121098
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCCC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C28H39NO2/c1-19-15-23-24(28(4,5)14-13-27(23,2)3)17-21(19)16-22-11-12-25(31-22)26(30)29-18-20-9-7-6-8-10-20/h11-12,15,17,20H,6-10,13-14,16,18H2,1-5H3,(H,29,30)
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180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121102
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCN(CC1)C(N)=N)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C28H40N4O2/c1-18-14-22-23(28(4,5)11-10-27(22,2)3)16-20(18)15-21-6-7-24(34-21)25(33)31-17-19-8-12-32(13-9-19)26(29)30/h6-7,14,16,19H,8-13,15,17H2,1-5H3,(H3,29,30)(H,31,33)
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220n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121101
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccccc1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C28H33NO2/c1-19-15-23-24(28(4,5)14-13-27(23,2)3)17-21(19)16-22-11-12-25(31-22)26(30)29-18-20-9-7-6-8-10-20/h6-12,15,17H,13-14,16,18H2,1-5H3,(H,29,30)
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240n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121104
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H39NO4/c1-18-14-23-24(29(4,5)13-12-28(23,2)3)16-21(18)15-22-10-11-25(34-22)26(31)30-17-19-6-8-20(9-7-19)27(32)33/h10-11,14,16,19-20H,6-9,12-13,15,17H2,1-5H3,(H,30,31)(H,32,33)/t19-,20-
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250n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121096
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(CNC(=O)C(F)(F)F)C1)C(C)(C)CCC2(C)C
Show InChI InChI=1/C31H41F3N2O3/c1-19-13-24-25(30(4,5)12-11-29(24,2)3)16-22(19)15-23-9-10-26(39-23)27(37)35-17-20-7-6-8-21(14-20)18-36-28(38)31(32,33)34/h9-10,13,16,20-21H,6-8,11-12,14-15,17-18H2,1-5H3,(H,35,37)(H,36,38)
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250n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121081
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@@H](CC1)C(N)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H40N2O3/c1-18-14-23-24(29(4,5)13-12-28(23,2)3)16-21(18)15-22-10-11-25(34-22)27(33)31-17-19-6-8-20(9-7-19)26(30)32/h10-11,14,16,19-20H,6-9,12-13,15,17H2,1-5H3,(H2,30,32)(H,31,33)/t19-,20-
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270n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121094
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccc(CN)cc1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H36N2O2/c1-19-14-24-25(29(4,5)13-12-28(24,2)3)16-22(19)15-23-10-11-26(33-23)27(32)31-18-21-8-6-20(17-30)7-9-21/h6-11,14,16H,12-13,15,17-18,30H2,1-5H3,(H,31,32)
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280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121090
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@H](CNC(N)=N)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34)/t20-,21-
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385n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50224310
PNG
(5-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CN=C(N)N)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34)
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520n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121103
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CC1)C#N)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H38N2O2/c1-19-14-24-25(29(4,5)13-12-28(24,2)3)16-22(19)15-23-10-11-26(33-23)27(32)31-18-21-8-6-20(17-30)7-9-21/h10-11,14,16,20-21H,6-9,12-13,15,18H2,1-5H3,(H,31,32)
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560n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121088
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCNCC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H38N2O2/c1-18-14-22-23(27(4,5)11-10-26(22,2)3)16-20(18)15-21-6-7-24(31-21)25(30)29-17-19-8-12-28-13-9-19/h6-7,14,16,19,28H,8-13,15,17H2,1-5H3,(H,29,30)
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700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121086
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CN)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H42N2O2/c1-19-14-24-25(29(4,5)13-12-28(24,2)3)16-22(19)15-23-10-11-26(33-23)27(32)31-18-21-8-6-20(17-30)7-9-21/h10-11,14,16,20-21H,6-9,12-13,15,17-18,30H2,1-5H3,(H,31,32)
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730n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121091
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@@H]1CC[C@H](CNC(N)=N)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34)/t20-,21+
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730n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121099
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES COC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1
Show InChI InChI=1S/C30H41NO4/c1-19-15-24-25(30(4,5)14-13-29(24,2)3)17-22(19)16-23-11-12-26(35-23)27(32)31-18-20-7-9-21(10-8-20)28(33)34-6/h11-12,15,17,20-21H,7-10,13-14,16,18H2,1-6H3,(H,31,32)/t20-,21-
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830n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121087
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNCc3cc(=O)[nH]c(=O)[nH]3)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C34H46N4O4/c1-21-14-27-28(34(4,5)13-12-33(27,2)3)16-24(21)15-26-10-11-29(42-26)31(40)36-19-23-8-6-22(7-9-23)18-35-20-25-17-30(39)38-32(41)37-25/h10-11,14,16-17,22-23,35H,6-9,12-13,15,18-20H2,1-5H3,(H,36,40)(H2,37,38,39,41)
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865n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121083
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(CN)C1)C(C)(C)CCC2(C)C
Show InChI InChI=1/C29H42N2O2/c1-19-13-24-25(29(4,5)12-11-28(24,2)3)16-22(19)15-23-9-10-26(33-23)27(32)31-18-21-8-6-7-20(14-21)17-30/h9-10,13,16,20-21H,6-8,11-12,14-15,17-18,30H2,1-5H3,(H,31,32)
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890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121084
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1noc(C)c1CNCC1CCC(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1
Show InChI InChI=1S/C35H49N3O3/c1-22-16-30-31(35(6,7)15-14-34(30,4)5)18-27(22)17-28-12-13-32(40-28)33(39)37-20-26-10-8-25(9-11-26)19-36-21-29-23(2)38-41-24(29)3/h12-13,16,18,25-26,36H,8-11,14-15,17,19-21H2,1-7H3,(H,37,39)
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121098
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCCC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C28H39NO2/c1-19-15-23-24(28(4,5)14-13-27(23,2)3)17-21(19)16-22-11-12-25(31-22)26(30)29-18-20-9-7-6-8-10-20/h11-12,15,17,20H,6-10,13-14,16,18H2,1-5H3,(H,29,30)
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1.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121102
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCN(CC1)C(N)=N)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C28H40N4O2/c1-18-14-22-23(28(4,5)11-10-27(22,2)3)16-20(18)15-21-6-7-24(34-21)25(33)31-17-19-8-12-32(13-9-19)26(29)30/h6-7,14,16,19H,8-13,15,17H2,1-5H3,(H3,29,30)(H,31,33)
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2.04E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121089
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNC(=O)C(F)(F)F)CC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C31H41F3N2O3/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(39-23)27(37)35-17-20-6-8-21(9-7-20)18-36-28(38)31(32,33)34/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,35,37)(H,36,38)
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2.72E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121085
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CCOC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1
Show InChI InChI=1S/C31H43NO4/c1-7-35-29(34)22-10-8-21(9-11-22)19-32-28(33)27-13-12-24(36-27)17-23-18-26-25(16-20(23)2)30(3,4)14-15-31(26,5)6/h12-13,16,18,21-22H,7-11,14-15,17,19H2,1-6H3,(H,32,33)/t21-,22-
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2.73E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121104
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C29H39NO4/c1-18-14-23-24(29(4,5)13-12-28(23,2)3)16-21(18)15-22-10-11-25(34-22)26(31)30-17-19-6-8-20(9-7-19)27(32)33/h10-11,14,16,19-20H,6-9,12-13,15,17H2,1-5H3,(H,30,31)(H,32,33)/t19-,20-
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3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121097
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C32H46N2O4/c1-21-17-25-26(32(7,8)14-13-31(25,5)6)19-23(21)18-24-9-10-27(37-24)28(35)33-20-22-11-15-34(16-12-22)29(36)38-30(2,3)4/h9-10,17,19,22H,11-16,18,20H2,1-8H3,(H,33,35)
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3.26E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121088
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCNCC1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C27H38N2O2/c1-18-14-22-23(27(4,5)11-10-26(22,2)3)16-20(18)15-21-6-7-24(31-21)25(30)29-17-19-8-12-28-13-9-19/h6-7,14,16,19,28H,8-13,15,17H2,1-5H3,(H,29,30)
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5.21E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00755-2
BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%