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Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'nared-hood' and Initial = 'k'   
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))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GnRH receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to rat pituitary GnRH receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121472
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1
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1.60n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121475
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1
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2.5n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121461
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1
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3n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121484
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive inhibition of GnRH-stimulated extracellular acidification in cells expressing recombinant rat GnRH receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121484
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1
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4.70n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121464
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NCC4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)
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6n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121462
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc1NCC1CCCO1
Show InChI InChI=1S/C39H49N5O3/c1-25-17-32-33(39(5,6)15-14-38(32,3)4)20-29(25)19-30-12-13-34(47-30)36(45)41-22-27-9-7-10-28(18-27)23-43-37-42-21-26(2)35(44-37)40-24-31-11-8-16-46-31/h7,9-10,12-13,17-18,20-21,31H,8,11,14-16,19,22-24H2,1-6H3,(H,41,45)(H2,40,42,43,44)
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7n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121466
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(n3)N3CCOCC3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C37H45N5O3/c1-25-19-30-31(37(4,5)13-12-36(30,2)3)22-28(25)21-29-9-10-32(45-29)34(43)39-23-26-7-6-8-27(20-26)24-40-35-38-14-11-33(41-35)42-15-17-44-18-16-42/h6-11,14,19-20,22H,12-13,15-18,21,23-24H2,1-5H3,(H,39,43)(H,38,40,41)
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7.5n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121472
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1
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8n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121470
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(C1)Nc1nccc(NCC3CCCO3)n1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C37H51N5O3/c1-24-18-30-31(37(4,5)15-14-36(30,2)3)21-26(24)20-28-11-12-32(45-28)34(43)40-22-25-8-6-9-27(19-25)41-35-38-16-13-33(42-35)39-23-29-10-7-17-44-29/h11-13,16,18,21,25,27,29H,6-10,14-15,17,19-20,22-23H2,1-5H3,(H,40,43)(H2,38,39,41,42)
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9n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121484
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1
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9.30n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121475
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1
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10n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121483
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES COCCCNc1ccnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1
Show InChI InChI=1S/C37H47N5O3/c1-25-19-30-31(37(4,5)15-14-36(30,2)3)22-28(25)21-29-11-12-32(45-29)34(43)40-23-26-9-7-10-27(20-26)24-41-35-39-17-13-33(42-35)38-16-8-18-44-6/h7,9-13,17,19-20,22H,8,14-16,18,21,23-24H2,1-6H3,(H,40,43)(H2,38,39,41,42)
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11n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121483
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES COCCCNc1ccnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1
Show InChI InChI=1S/C37H47N5O3/c1-25-19-30-31(37(4,5)15-14-36(30,2)3)22-28(25)21-29-11-12-32(45-29)34(43)40-23-26-9-7-10-27(20-26)24-41-35-39-17-13-33(42-35)38-16-8-18-44-6/h7,9-13,17,19-20,22H,8,14-16,18,21,23-24H2,1-6H3,(H,40,43)(H2,38,39,41,42)
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11n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
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 |wU:20.25,wD:17.18,(9.62,-7.31,;8.27,-6.52,;6.94,-7.29,;5.61,-6.52,;5.61,-4.98,;6.94,-4.21,;8.27,-4.98,;9.62,-4.21,;9.62,-2.67,;10.78,-1.63,;10.16,-.24,;8.62,-.4,;8.29,-1.9,;7.61,.77,;6.1,.47,;8.1,2.22,;7.09,3.38,;5.58,3.08,;4.56,4.25,;3.06,3.96,;2.57,2.49,;3.57,1.33,;5.07,1.63,;1.05,2.19,;.03,3.33,;.56,.72,;4.28,-4.21,;5.61,-3.44,;2.94,-3.44,;2.94,-4.98,;2.94,-6.52,;4.28,-7.29,;5.37,-8.38,;2.78,-7.7,)|
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121462
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc1NCC1CCCO1
Show InChI InChI=1S/C39H49N5O3/c1-25-17-32-33(39(5,6)15-14-38(32,3)4)20-29(25)19-30-12-13-34(47-30)36(45)41-22-27-9-7-10-28(18-27)23-43-37-42-21-26(2)35(44-37)40-24-31-11-8-16-46-31/h7,9-10,12-13,17-18,20-21,31H,8,11,14-16,19,22-24H2,1-6H3,(H,41,45)(H2,40,42,43,44)
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14n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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 |wU:20.22,wD:17.18,(13.73,-14.94,;12.37,-14.16,;11.04,-14.93,;9.71,-14.16,;9.71,-12.62,;11.04,-11.85,;12.37,-12.62,;13.73,-11.85,;13.73,-10.31,;14.89,-9.27,;14.26,-7.89,;12.72,-8.03,;12.4,-9.54,;11.71,-6.87,;10.2,-7.17,;12.21,-5.42,;11.2,-4.25,;9.69,-4.56,;8.68,-3.39,;7.17,-3.67,;6.67,-5.14,;5.16,-5.46,;4.14,-4.3,;4.63,-2.85,;3.6,-1.7,;6.12,-2.54,;7.68,-6.31,;9.18,-6,;8.38,-11.85,;7.05,-11.08,;9.71,-11.08,;7.05,-12.62,;7.05,-14.16,;8.38,-14.93,;9.48,-16.01,;6.89,-15.34,)|
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)


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 |(17.2,-15.94,;15.87,-15.15,;14.52,-15.92,;13.19,-15.15,;13.19,-13.61,;14.52,-12.84,;15.87,-13.61,;17.2,-12.84,;17.23,-11.3,;18.37,-10.25,;17.74,-8.87,;16.22,-9.01,;15.9,-10.53,;15.2,-7.85,;13.68,-8.15,;15.69,-6.4,;14.68,-5.25,;13.17,-5.54,;12.16,-4.37,;10.65,-4.67,;10.16,-6.14,;11.16,-7.29,;12.68,-7,;8.64,-6.45,;7.12,-6.75,;11.86,-12.84,;10.53,-12.07,;13.21,-12.07,;10.53,-13.61,;10.53,-15.15,;11.86,-15.92,;12.96,-17.01,;10.37,-16.32,)|
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)


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=1S/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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121481
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES COCCNc1nccc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1
Show InChI InChI=1S/C36H45N5O3/c1-24-18-29-30(36(4,5)14-13-35(29,2)3)21-27(24)20-28-10-11-31(44-28)33(42)40-23-26-9-7-8-25(19-26)22-39-32-12-15-37-34(41-32)38-16-17-43-6/h7-12,15,18-19,21H,13-14,16-17,20,22-23H2,1-6H3,(H,40,42)(H2,37,38,39,41)
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22n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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 |(5.32,-14.61,;3.97,-13.84,;2.66,-14.61,;1.33,-13.84,;1.33,-12.3,;2.64,-11.53,;3.97,-12.3,;5.3,-11.51,;6.65,-12.28,;6.67,-13.82,;9.33,-13.77,;9.29,-12.23,;7.96,-11.49,;10.62,-11.44,;10.6,-9.9,;11.97,-12.19,;13.28,-11.39,;14.64,-12.14,;14.65,-13.7,;15.99,-14.44,;17.32,-13.66,;18.67,-14.4,;19.98,-13.61,;21.33,-14.37,;22.66,-13.59,;23.99,-14.33,;25.32,-13.56,;26.65,-14.31,;25.3,-12.02,;23.95,-11.25,;23.92,-9.71,;22.62,-12.05,;17.3,-12.09,;15.94,-11.35,;,-11.53,;-1.35,-10.76,;1.33,-10.74,;-1.32,-12.3,;-1.32,-13.84,;,-14.61,;1.33,-15.38,;-1.35,-15.36,)|
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)


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 |wU:4.3,wD:7.7,(3.41,-.35,;4.92,-.05,;5.93,-1.2,;5.44,-2.66,;7.44,-.89,;7.95,.58,;9.45,.86,;10.46,-.29,;11.96,,;12.98,-1.17,;12.48,-2.61,;10.98,-2.91,;13.5,-3.78,;15.03,-3.62,;15.65,-5.01,;14.5,-6.04,;14.5,-7.58,;13.15,-8.35,;11.82,-7.58,;10.49,-8.35,;10.49,-9.89,;11.82,-10.66,;13.15,-9.89,;14.5,-10.67,;9.16,-10.66,;10.25,-11.75,;7.67,-11.07,;7.82,-9.89,;7.82,-8.35,;9.16,-7.58,;10.5,-6.81,;7.82,-6.81,;13.18,-5.27,;9.96,-1.75,;8.44,-2.05,)|
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121479
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3nccc(NCC4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |(-3.76,-4.21,;-5.12,-3.49,;-6.47,-4.21,;-7.83,-3.49,;-7.83,-2.07,;-6.47,-1.34,;-5.12,-2.05,;-3.76,-1.33,;-2.4,-2.05,;-2.4,-3.49,;.31,-3.49,;.31,-2.05,;-1.04,-1.33,;1.68,-1.34,;1.68,.1,;3.04,-2.07,;4.52,-1.18,;6.02,-2.01,;6.47,-3.67,;8.11,-4.11,;9.34,-2.9,;11.02,-3.36,;12.51,-2.48,;13.86,-1.76,;13.86,-.32,;15.22,.38,;16.58,-.32,;16.58,-1.76,;18.05,-2.65,;19.56,-1.83,;21.05,-2.72,;21.05,-4.43,;22.54,-5.29,;24.03,-2.72,;22.54,-1.86,;15.22,-2.48,;8.9,-1.24,;7.22,-.79,;-9.19,-1.34,;-10.55,-.63,;-7.83,-.61,;-10.53,-2.07,;-10.53,-3.5,;-9.19,-4.21,;-7.83,-4.92,;-10.55,-4.91,)|
Show InChI InChI=1S/C38H53N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h12-14,17,19,21,26-27,30H,6-11,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)
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26n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121465
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](CNc3ccnc(NC[C@@H]4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |wU:20.22,30.31,wD:17.18,(1.39,3.28,;.04,4,;-1.33,3.28,;-2.7,4,;-2.7,5.43,;-1.34,6.15,;.03,5.44,;1.38,6.17,;2.77,5.46,;2.76,4.01,;5.48,4,;5.48,5.44,;4.13,6.17,;6.86,6.17,;6.87,7.61,;8.23,5.43,;9.59,6.14,;10.96,5.43,;10.94,3.99,;12.31,3.26,;13.68,3.99,;15.17,3.09,;16.69,3.92,;18.17,3.02,;18.17,1.58,;19.54,.86,;20.9,1.59,;20.9,3.02,;22.38,3.92,;23.92,3.09,;25.4,3.99,;26.63,2.78,;28.74,4.91,;27.49,6.12,;25.82,5.67,;19.54,3.75,;13.68,5.43,;12.31,6.14,;-4.07,6.17,;-5.43,6.88,;-2.7,6.89,;-5.41,5.43,;-5.41,3.99,;-4.07,3.28,;-2.7,2.57,;-5.43,2.57,)|
Show InChI InChI=1S/C38H53N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-23-27-10-8-26(9-11-27)22-40-34-14-17-39-36(43-34)42-24-30-7-6-18-45-30/h12-14,17,19,21,26-27,30H,6-11,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t26-,27-,30-/m0/s1
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28n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121469
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1
Show InChI InChI=1S/C34H41N5O2/c1-21-14-27-28(34(5,6)13-12-33(27,3)4)18-25(21)17-26-10-11-29(41-26)31(40)37-20-24-9-7-8-23(16-24)19-36-30-15-22(2)38-32(35)39-30/h7-11,14-16,18H,12-13,17,19-20H2,1-6H3,(H,37,40)(H3,35,36,38,39)
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29n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121478
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccc(CNc3nccc(NCC4CCCO4)n3)cc1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h8-14,17,19,21,30H,6-7,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)
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33n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121464
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NCC4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)
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33n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121467
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3cc(Cl)nc(N)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C33H38ClN5O2/c1-20-13-25-26(33(4,5)12-11-32(25,2)3)16-23(20)15-24-9-10-27(41-24)30(40)37-19-22-8-6-7-21(14-22)18-36-29-17-28(34)38-31(35)39-29/h6-10,13-14,16-17H,11-12,15,18-19H2,1-5H3,(H,37,40)(H3,35,36,38,39)
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35n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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 |wU:20.22,17.18,(9.88,-8.62,;8.54,-7.82,;7.19,-8.59,;5.86,-7.82,;5.86,-6.28,;7.19,-5.51,;8.54,-6.28,;9.88,-5.51,;9.89,-3.97,;11.04,-2.94,;10.41,-1.55,;8.89,-1.7,;8.56,-3.2,;7.87,-.54,;6.35,-.84,;8.36,.91,;7.36,2.07,;5.84,1.77,;4.84,2.94,;3.31,2.65,;2.83,1.18,;1.31,.88,;.29,2.02,;.78,3.49,;-.25,4.64,;2.29,3.8,;3.83,.02,;5.34,.32,;4.53,-5.51,;3.2,-4.74,;5.88,-4.74,;3.2,-6.28,;3.2,-7.82,;4.53,-8.59,;5.63,-9.69,;3.04,-9.01,)|
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)


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 |(6.78,4.17,;7.56,2.84,;9.09,2.85,;9.88,1.51,;9.1,.17,;7.57,.17,;6.81,1.51,;5.27,1.5,;4.5,.17,;5.27,-1.17,;4.24,-2.31,;2.83,-1.68,;2.99,-.15,;1.5,-2.45,;1.5,-3.99,;.17,-1.68,;-1.17,-2.45,;-2.5,-1.68,;-3.84,-2.45,;-5.18,-1.68,;-5.18,-.13,;-6.51,.64,;-7.84,-.13,;-9.18,.63,;-10.51,-.14,;-9.18,2.17,;-3.84,.65,;-2.5,-.13,;9.86,-1.16,;8.32,-1.15,;10.63,-2.48,;11.41,-1.17,;12.19,.17,;11.42,1.52,;12.95,1.52,;11.01,3.01,)|
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121478
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccc(CNc3nccc(NCC4CCCO4)n3)cc1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h8-14,17,19,21,30H,6-7,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)
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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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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 |(-.7,-11.61,;-2.04,-10.83,;-3.38,-11.6,;-4.71,-10.83,;-4.71,-9.3,;-3.38,-8.53,;-2.04,-9.3,;-.7,-8.53,;-.69,-6.99,;.45,-5.95,;-.16,-4.57,;-1.69,-4.71,;-2.02,-6.22,;-2.72,-3.55,;-4.22,-3.85,;-2.21,-2.1,;-3.23,-.94,;-4.73,-1.24,;-5.23,-2.69,;-6.75,-2.99,;-7.75,-1.83,;-9.27,-2.14,;-10.29,-1,;-7.26,-.36,;-5.75,-.08,;-6.03,-8.53,;-7.38,-7.76,;-4.7,-7.76,;-7.38,-9.3,;-7.38,-10.83,;-6.03,-11.6,;-7.53,-12.01,;-4.94,-12.68,)|
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121481
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES COCCNc1nccc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1
Show InChI InChI=1S/C36H45N5O3/c1-24-18-29-30(36(4,5)14-13-35(29,2)3)21-27(24)20-28-10-11-31(44-28)33(42)40-23-26-9-7-8-25(19-26)22-39-32-12-15-37-34(41-32)38-16-17-43-6/h7-12,15,18-19,21H,13-14,16-17,20,22-23H2,1-6H3,(H,40,42)(H2,37,38,39,41)
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44n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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 |wU:5.4,wD:8.8,(.17,.16,;.66,1.61,;-.35,2.77,;.14,4.22,;-.88,5.37,;1.66,4.53,;2.15,6,;3.66,6.29,;4.67,5.13,;6.18,5.41,;7.19,4.26,;6.7,2.82,;5.19,2.51,;7.71,1.65,;9.25,1.79,;9.87,.41,;8.71,-.64,;8.71,-2.18,;7.36,-2.95,;6.03,-2.18,;4.7,-2.95,;4.7,-4.49,;6.03,-5.26,;7.36,-4.49,;8.71,-5.27,;3.37,-5.26,;4.46,-6.35,;1.87,-5.65,;2.03,-4.49,;2.03,-2.95,;3.37,-2.18,;4.7,-1.41,;2.03,-1.41,;7.38,.13,;4.16,3.66,;2.66,3.38,)|
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)


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)


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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121469
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1
Show InChI InChI=1S/C34H41N5O2/c1-21-14-27-28(34(5,6)13-12-33(27,3)4)18-25(21)17-26-10-11-29(41-26)31(40)37-20-24-9-7-8-23(16-24)19-36-30-15-22(2)38-32(35)39-30/h7-11,14-16,18H,12-13,17,19-20H2,1-6H3,(H,37,40)(H3,35,36,38,39)
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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
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121461
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1
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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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121470
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(C1)Nc1nccc(NCC3CCCO3)n1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C37H51N5O3/c1-24-18-30-31(37(4,5)15-14-36(30,2)3)21-26(24)20-28-11-12-32(45-28)34(43)40-22-25-8-6-9-27(19-25)41-35-38-16-13-33(42-35)39-23-29-10-7-17-44-29/h11-13,16,18,21,25,27,29H,6-10,14-15,17,19-20,22-23H2,1-5H3,(H,40,43)(H2,38,39,41,42)
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57n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121471
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ncc(C#N)c(N)n3)CC1)C(C)(C)CCC2(C)C |(-1.59,-12.61,;-2.93,-11.9,;-4.29,-12.61,;-5.65,-11.9,;-5.65,-10.47,;-4.31,-9.75,;-2.95,-10.46,;-1.59,-9.74,;-.21,-10.44,;-.23,-11.88,;2.49,-11.9,;2.49,-10.46,;1.13,-9.74,;3.85,-9.74,;3.87,-8.3,;5.21,-10.47,;6.7,-9.58,;8.21,-10.42,;9.7,-9.53,;11.2,-10.36,;11.23,-12.09,;12.74,-12.93,;14.22,-12.04,;15.64,-13.03,;17.19,-12.3,;18.6,-13.28,;18.46,-15.01,;19.88,-15.99,;21.29,-16.98,;16.9,-15.74,;16.74,-17.45,;15.49,-14.76,;9.75,-12.95,;8.25,-12.14,;-7,-9.74,;-8.37,-9.03,;-5.65,-9.02,;-8.36,-10.47,;-8.36,-11.91,;-7,-12.61,;-8.37,-13.32,;-5.65,-13.32,)|
Show InChI InChI=1S/C34H44N6O2/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(41)37-18-22-6-8-23(9-7-22)19-38-32-39-20-25(17-35)30(36)40-32/h10-11,14,16,20,22-23H,6-9,12-13,15,18-19H2,1-5H3,(H,37,41)(H3,36,38,39,40)
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63n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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 |(4.72,-8.31,;3.37,-7.54,;2.04,-8.29,;.71,-7.54,;.71,-6,;2.04,-5.23,;3.37,-6,;4.72,-5.23,;4.72,-3.69,;5.88,-2.64,;5.26,-1.26,;3.72,-1.41,;3.39,-2.92,;2.71,-.24,;1.2,-.54,;3.2,1.21,;2.19,2.37,;.68,2.07,;-.33,3.24,;-1.84,2.96,;-2.33,1.49,;-3.85,1.17,;-4.87,2.33,;-4.38,3.77,;-2.89,4.08,;-5.41,4.94,;-6.42,6.08,;-6.55,3.91,;-4.25,5.94,;-1.33,.32,;.17,.62,;-.62,-5.23,;-1.96,-4.46,;.71,-4.46,;-1.96,-6,;-1.96,-7.54,;-.62,-8.29,;.47,-9.39,;-2.12,-8.71,)|
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121468
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(CNc3ncccn3)C1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C33H44N4O2/c1-22-16-27-28(33(4,5)13-12-32(27,2)3)19-25(22)18-26-10-11-29(39-26)30(38)36-20-23-8-6-9-24(17-23)21-37-31-34-14-7-15-35-31/h7,10-11,14-16,19,23-24H,6,8-9,12-13,17-18,20-21H2,1-5H3,(H,36,38)(H,34,35,37)
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67n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121479
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3nccc(NCC4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |(-3.76,-4.21,;-5.12,-3.49,;-6.47,-4.21,;-7.83,-3.49,;-7.83,-2.07,;-6.47,-1.34,;-5.12,-2.05,;-3.76,-1.33,;-2.4,-2.05,;-2.4,-3.49,;.31,-3.49,;.31,-2.05,;-1.04,-1.33,;1.68,-1.34,;1.68,.1,;3.04,-2.07,;4.52,-1.18,;6.02,-2.01,;6.47,-3.67,;8.11,-4.11,;9.34,-2.9,;11.02,-3.36,;12.51,-2.48,;13.86,-1.76,;13.86,-.32,;15.22,.38,;16.58,-.32,;16.58,-1.76,;18.05,-2.65,;19.56,-1.83,;21.05,-2.72,;21.05,-4.43,;22.54,-5.29,;24.03,-2.72,;22.54,-1.86,;15.22,-2.48,;8.9,-1.24,;7.22,-.79,;-9.19,-1.34,;-10.55,-.63,;-7.83,-.61,;-10.53,-2.07,;-10.53,-3.5,;-9.19,-4.21,;-7.83,-4.92,;-10.55,-4.91,)|
Show InChI InChI=1S/C38H53N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h12-14,17,19,21,26-27,30H,6-11,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)
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74n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121466
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(n3)N3CCOCC3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C37H45N5O3/c1-25-19-30-31(37(4,5)13-12-36(30,2)3)22-28(25)21-29-9-10-32(45-29)34(43)39-23-26-7-6-8-27(20-26)24-40-35-38-14-11-33(41-35)42-15-17-44-18-16-42/h6-11,14,19-20,22H,12-13,15-18,21,23-24H2,1-5H3,(H,39,43)(H,38,40,41)
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80n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
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)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
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