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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 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)
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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H35N7O3/c1-16-14-31(17(2)13-30(16)18-8-11-35-12-9-18)24(34)32-15-19-21(25(32,3)4)28-29-22(19)27-23(33)20-7-5-6-10-26-20/h5-7,10,16-18H,8-9,11-15H2,1-4H3,(H2,27,28,29,33)/t16-,17+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C26H37N7O3/c1-17-14-32(18(2)13-31(17)15-19-8-11-36-12-9-19)25(35)33-16-20-22(26(33,3)4)29-30-23(20)28-24(34)21-7-5-6-10-27-21/h5-7,10,17-19H,8-9,11-16H2,1-4H3,(H2,28,29,30,34)/t17-,18+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C24H33N7O2/c1-16-13-29(4)24(10-6-7-11-24)15-30(16)22(33)31-14-17-19(23(31,2)3)27-28-20(17)26-21(32)18-9-5-8-12-25-18/h5,8-9,12,16H,6-7,10-11,13-15H2,1-4H3,(H2,26,27,28,32)/t16-/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C27H36F3N7O3/c1-16-13-36(17(2)12-35(16)14-18-7-9-40-10-8-18)25(39)37-15-20-22(26(37,3)4)33-34-23(20)32-24(38)21-6-5-19(11-31-21)27(28,29)30/h5-6,11,16-18H,7-10,12-15H2,1-4H3,(H2,32,33,34,38)/t16-,17+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C26H31N7O2/c1-16-13-31-10-6-9-19(31)14-32(16)25(35)33-15-20-22(26(33,2)3)29-30-23(20)28-24(34)21-11-17-7-4-5-8-18(17)12-27-21/h4-5,7-8,11-12,16,19H,6,9-10,13-15H2,1-3H3,(H2,28,29,30,34)/t16-,19-/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H30N8O2/c1-15-12-31-10-4-5-17(31)13-32(15)24(35)33-14-18-21(25(33,2)3)29-30-22(18)28-23(34)20-7-6-16-11-26-9-8-19(16)27-20/h6-9,11,15,17H,4-5,10,12-14H2,1-3H3,(H2,28,29,30,34)/t15-,17-/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C23H32N8O2/c1-13-10-29-8-4-5-15(29)11-30(13)22(33)31-12-16-19(23(31,2)3)27-28-20(16)24-21(32)18-9-17(25-26-18)14-6-7-14/h9,13-15H,4-8,10-12H2,1-3H3,(H,25,26)(H2,24,27,28,32)/t13-,15-/s2
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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 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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C23H31N7O2/c1-15-12-28(4)23(9-7-10-23)14-29(15)21(32)30-13-16-18(22(30,2)3)26-27-19(16)25-20(31)17-8-5-6-11-24-17/h5-6,8,11,15H,7,9-10,12-14H2,1-4H3,(H2,25,26,27,31)/t15-/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C22H31N7O2/c1-6-27-11-15(3)28(12-14(27)2)21(31)29-13-16-18(22(29,4)5)25-26-19(16)24-20(30)17-9-7-8-10-23-17/h7-10,14-15H,6,11-13H2,1-5H3,(H2,24,25,26,30)/t14-,15+/s2
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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 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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C24H35N7O3/c1-5-11-29-13-16(2)30(14-17(29)9-12-32)23(34)31-15-18-20(24(31,3)4)27-28-21(18)26-22(33)19-8-6-7-10-25-19/h6-8,10,16-17,32H,5,9,11-15H2,1-4H3,(H2,26,27,28,33)/t16-,17+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H34ClN7O3/c1-15-13-32(16(2)12-31(15)18-7-9-36-10-8-18)24(35)33-14-19-21(25(33,3)4)29-30-22(19)28-23(34)20-6-5-17(26)11-27-20/h5-6,11,15-16,18H,7-10,12-14H2,1-4H3,(H2,28,29,30,34)/t15-,16+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C27H36N8O3/c1-17-14-34(18(2)13-33(17)15-19-7-9-38-10-8-19)26(37)35-16-21-23(27(35,3)4)31-32-24(21)30-25(36)22-6-5-20(11-28)12-29-22/h5-6,12,17-19H,7-10,13-16H2,1-4H3,(H2,30,31,32,36)/t17-,18+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C27H36N8O3/c1-17-14-34(18(2)13-33(17)15-19-7-9-38-10-8-19)26(37)35-16-21-23(27(35,3)4)31-32-24(21)30-25(36)22-6-5-20(11-28)12-29-22/h5-6,12,17-19H,7-10,13-16H2,1-4H3,(H2,30,31,32,36)/t17-,18+/s2
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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
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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H35N7O3/c1-16-12-31(17(2)11-30(16)13-18-8-10-35-15-18)24(34)32-14-19-21(25(32,3)4)28-29-22(19)27-23(33)20-7-5-6-9-26-20/h5-7,9,16-18H,8,10-15H2,1-4H3,(H2,27,28,29,33)/t16-,17+,18?/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H34FN7O3/c1-15-13-32(16(2)12-31(15)18-7-9-36-10-8-18)24(35)33-14-19-21(25(33,3)4)29-30-22(19)28-23(34)20-6-5-17(26)11-27-20/h5-6,11,15-16,18H,7-10,12-14H2,1-4H3,(H2,28,29,30,34)/t15-,16+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C26H37N7O4.CH4/c1-17-14-31(15-18-7-11-37-12-8-18)9-10-32(17)25(35)33-16-20-22(26(33,2)3)29-30-23(20)28-24(34)21-6-5-19(36-4)13-27-21;/h5-6,13,17-18H,7-12,14-16H2,1-4H3,(H2,28,29,30,34);1H4/t17-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H38N8O3.CH4/c1-16-12-20(30(5)29-16)23(34)26-22-19-15-33(25(3,4)21(19)27-28-22)24(35)32-9-8-31(13-17(32)2)14-18-6-10-36-11-7-18;/h12,17-18H,6-11,13-15H2,1-5H3,(H2,26,27,28,34);1H4/t17-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C27H38N6O3.CH4/c1-18-6-5-7-21(14-18)25(34)28-24-22-17-33(27(3,4)23(22)29-30-24)26(35)32-11-10-31(15-19(32)2)16-20-8-12-36-13-9-20;/h5-7,14,19-20H,8-13,15-17H2,1-4H3,(H2,28,29,30,34);1H4/t19-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C26H35FN6O3.CH4/c1-17-14-31(15-18-7-11-36-12-8-18)9-10-32(17)25(35)33-16-21-22(26(33,2)3)29-30-23(21)28-24(34)19-5-4-6-20(27)13-19;/h4-6,13,17-18H,7-12,14-16H2,1-3H3,(H2,28,29,30,34);1H4/t17-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C27H39N7O3/c1-6-19-7-8-22(28-13-19)25(35)29-24-21-16-34(27(4,5)23(21)30-31-24)26(36)33-15-17(2)32(14-18(33)3)20-9-11-37-12-10-20/h7-8,13,17-18,20H,6,9-12,14-16H2,1-5H3,(H2,29,30,31,35)/t17-,18+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C29H42N8O4/c1-19-17-36(20(2)16-35(19)21-7-11-40-12-8-21)28(39)37-18-23-25(29(37,3)4)32-33-26(23)31-27(38)24-6-5-22(15-30-24)34-9-13-41-14-10-34/h5-6,15,19-21H,7-14,16-18H2,1-4H3,(H2,31,32,33,38)/t19-,20+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C26H37N7O4/c1-16-14-32(17(2)13-31(16)18-8-10-37-11-9-18)25(35)33-15-20-22(26(33,3)4)29-30-23(20)28-24(34)21-7-6-19(36-5)12-27-21/h6-7,12,16-18H,8-11,13-15H2,1-5H3,(H2,28,29,30,34)/t16-,17+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C20H25Cl2N7O2S/c1-10-7-27-6-4-5-11(27)8-28(10)19(31)29-9-12-13(20(29,2)3)25-26-16(12)24-17(30)18-23-14(21)15(22)32-18/h10-11H,4-9H2,1-3H3,(H2,24,25,26,30)/t10-,11-/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H38N8O2/c1-15-12-31-10-8-9-16(31)13-32(15)23(35)33-14-17-20(25(33,5)6)27-28-21(17)26-22(34)18-11-19(24(2,3)4)29-30(18)7/h11,15-16H,8-10,12-14H2,1-7H3,(H2,26,27,28,34)/t15-,16-/s2
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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 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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C26H35FN6O3.CH4/c1-17-14-31(15-18-8-12-36-13-9-18)10-11-32(17)25(35)33-16-21-22(26(33,2)3)29-30-23(21)28-24(34)19-4-6-20(27)7-5-19;/h4-7,17-18H,8-16H2,1-3H3,(H2,28,29,30,34);1H4/t17-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H34ClN7O3.CH4/c1-16-13-31(14-17-6-10-36-11-7-17)8-9-32(16)24(35)33-15-19-21(25(33,2)3)29-30-22(19)28-23(34)20-5-4-18(26)12-27-20;/h4-5,12,16-17H,6-11,13-15H2,1-3H3,(H2,28,29,30,34);1H4/t16-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C26H37N7O3/c1-16-6-7-21(27-12-16)24(34)28-23-20-15-33(26(4,5)22(20)29-30-23)25(35)32-14-17(2)31(13-18(32)3)19-8-10-36-11-9-19/h6-7,12,17-19H,8-11,13-15H2,1-5H3,(H2,28,29,30,34)/t17-,18+/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H30N8O2/c1-15-12-31-10-6-7-16(31)13-32(15)24(35)33-14-17-21(25(33,2)3)29-30-22(17)28-23(34)20-11-26-18-8-4-5-9-19(18)27-20/h4-5,8-9,11,15-16H,6-7,10,12-14H2,1-3H3,(H2,28,29,30,34)/t15-,16-/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C24H35N7O3S.CH4/c1-15-11-29(12-17-5-9-34-10-6-17)7-8-30(15)23(33)31-13-18-20(24(31,3)4)27-28-21(18)26-22(32)19-14-35-16(2)25-19;/h14-15,17H,5-13H2,1-4H3,(H2,26,27,28,32);1H4/t15-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C25H34FN7O3.CH4/c1-16-13-31(14-17-6-10-36-11-7-17)8-9-32(16)24(35)33-15-19-21(25(33,2)3)29-30-22(19)28-23(34)20-5-4-18(26)12-27-20;/h4-5,12,16-17H,6-11,13-15H2,1-3H3,(H2,28,29,30,34);1H4/t16-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C21H27BrN6O2S/c1-11-8-27-6-4-5-12(27)7-13(11)19(30)28-9-14-16(21(28,2)3)25-26-17(14)24-18(29)15-10-31-20(22)23-15/h10-13H,4-9H2,1-3H3,(H2,24,25,26,29)/t11-,12-,13?/s2
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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 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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C23H33N7O2.CH4/c1-5-6-11-28-12-13-29(16(2)14-28)22(32)30-15-17-19(23(30,3)4)26-27-20(17)25-21(31)18-9-7-8-10-24-18;/h7-10,16H,5-6,11-15H2,1-4H3,(H2,25,26,27,31);1H4/t16-;/s2
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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
PKC alpha and beta-2


(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|
Show InChI InChI=1/C23H31N7O2.CH4/c1-15-12-28(13-16-7-8-16)10-11-29(15)22(32)30-14-17-19(23(30,2)3)26-27-20(17)25-21(31)18-6-4-5-9-24-18;/h4-6,9,15-16H,7-8,10-14H2,1-3H3,(H2,25,26,27,31);1H4/t15-;/s2
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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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