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Compile Data Set for Download or QSAR

Found 379 hits with Last Name = 'tompkins' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
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


(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)
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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153901
PNG
(US8999981, A146)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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US Patent
1.70 -50.9n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153898
PNG
(US8999981, A143)
Show SMILES C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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US Patent
1.90 -50.6n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153757
PNG
(US8999981, A2)
Show SMILES C[C@H]1CN(C)C2(CCCC2)CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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US Patent
3.05 -49.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM154004
PNG
(US8999981, F60)
Show SMILES C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccc(cn3)C(F)(F)F)n[nH]c2C1(C)C |r|
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US Patent
4.17 -48.6n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153933
PNG
(US8999981, E3)
Show SMILES C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc4ccccc4cn3)n[nH]c2C1(C)C |r|
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US Patent
5.51 -47.9n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153934
PNG
(US8999981, E4)
Show SMILES C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc4cnccc4n3)n[nH]c2C1(C)C |r|
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US Patent
6.17 -47.6n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153936
PNG
(US8999981, E6)
Show SMILES C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(n[nH]3)C3CC3)n[nH]c2C1(C)C |r|
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US Patent
6.81 -47.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
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 receptor


(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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153888
PNG
(US8999981, A133)
Show SMILES C[C@H]1CN(C)C2(CCC2)CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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US Patent
8.58 -46.8n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153850
PNG
(US8999981, A95)
Show SMILES CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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US Patent
9.11 -46.7n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153838
PNG
(US8999981, A83)
Show SMILES CCCN1C[C@H](C)N(C[C@H]1CCO)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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US Patent
9.53 -46.5n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM154000
PNG
(US8999981, F56)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccc(Cl)cn3)n[nH]c2C1(C)C |r|
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US Patent
<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM154005
PNG
(US8999981, G1 | US8999981, G3)
Show SMILES C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccc(cn3)C#N)n[nH]c2C1(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM154005
PNG
(US8999981, G1 | US8999981, G3)
Show SMILES C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccc(cn3)C#N)n[nH]c2C1(C)C |r|
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US Patent
<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153902
PNG
(US8999981, A147)
Show SMILES C[C@@H]1CN([C@@H](C)CN1CC1CCOC1)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153904
PNG
(US8999981, A149)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cn3)n[nH]c2C1(C)C |r|
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US Patent
<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153973
PNG
(US8999981, F29)
Show SMILES C.COc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C(=O)N1CCN(CC3CCOCC3)C[C@@H]1C)C2(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153978
PNG
(US8999981, F34)
Show SMILES C.C[C@H]1CN(CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3cc(C)nn3C)n[nH]c2C1(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153988
PNG
(US8999981, F44)
Show SMILES C.C[C@H]1CN(CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3cccc(C)c3)n[nH]c2C1(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153991
PNG
(US8999981, F47)
Show SMILES C.C[C@H]1CN(CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3cccc(F)c3)n[nH]c2C1(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153995
PNG
(US8999981, F51)
Show SMILES CCc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1)C2(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153996
PNG
(US8999981, F52)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccc(cn3)N3CCOCC3)n[nH]c2C1(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153999
PNG
(US8999981, F55)
Show SMILES COc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1)C2(C)C |r|
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<10<-46.4n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153829
PNG
(US8999981, A74)
Show SMILES C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3nc(Cl)c(Cl)s3)n[nH]c2C1(C)C |r|
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10.4 -46.3n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153940
PNG
(US8999981, E10)
Show SMILES C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(nn3C)C(C)(C)C)n[nH]c2C1(C)C |r|
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10.6 -46.3n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
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 receptor


(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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153990
PNG
(US8999981, F46)
Show SMILES C.C[C@H]1CN(CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C |r|
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US Patent
11.2 -46.1n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153974
PNG
(US8999981, F30)
Show SMILES C.C[C@H]1CN(CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccc(Cl)cn3)n[nH]c2C1(C)C |r|
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US Patent
11.9 -46.0n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153998
PNG
(US8999981, F54)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccc(C)cn3)n[nH]c2C1(C)C |r|
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US Patent
12.2 -45.9n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153937
PNG
(US8999981, E7)
Show SMILES C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cnc4ccccc4n3)n[nH]c2C1(C)C |r|
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US Patent
12.5 -45.9n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153976
PNG
(US8999981, F32)
Show SMILES C.C[C@H]1CN(CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3csc(C)n3)n[nH]c2C1(C)C |r|
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US Patent
12.8 -45.8n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153970
PNG
(US8999981, F26)
Show SMILES C.C[C@H]1CN(CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cn3)n[nH]c2C1(C)C |r|
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US Patent
12.8 -45.8n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153858
PNG
(US8999981, A103)
Show SMILES C[C@H]1CN2CCC[C@H]2CC1C(=O)N1Cc2c(NC(=O)c3csc(Br)n3)n[nH]c2C1(C)C |r|
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US Patent
12.9 -45.8n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153878
PNG
(US8999981, A123)
Show SMILES C.CCCCN1CCN([C@@H](C)C1)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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US Patent
13.3 -45.7n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM153853
PNG
(US8999981, A122 | US8999981, A98)
Show SMILES C.C[C@H]1CN(CC2CC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
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US Patent
13.3 -45.7n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
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