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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'wang' and Initial = 'qj'   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50366620
PNG
(RESINIFERATOXIN)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1
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0.0230n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86434
PNG
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)
Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25|
Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3
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0.140n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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0.220n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86431
PNG
(CAS_4179 | Mezerein | NSC_4179)
Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19|
Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3
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0.270n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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0.290n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86434
PNG
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)
Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25|
Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3
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0.350n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86431
PNG
(CAS_4179 | Mezerein | NSC_4179)
Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19|
Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3
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0.430n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86432
PNG
((-)-Octylindolactam V | CAS_159320 | NSC_159320)
Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)
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0.450n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86432
PNG
((-)-Octylindolactam V | CAS_159320 | NSC_159320)
Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)
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0.530n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86431
PNG
(CAS_4179 | Mezerein | NSC_4179)
Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19|
Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3
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0.550n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86434
PNG
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)
Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25|
Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3
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0.560n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86432
PNG
((-)-Octylindolactam V | CAS_159320 | NSC_159320)
Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)
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0.770n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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1.31n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86435
PNG
(B8-DL-B8 | B8-DL-B8 (low PS))
Show SMILES CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-9-22(7,17(3)4)12-11-19-13-24(15-25,29-21(19)27)16-28-20(26)14-23(8,10-2)18(5)6/h11,17-18,25H,9-10,12-16H2,1-8H3/b19-11-
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2.90n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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3.20n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86435
PNG
(B8-DL-B8 | B8-DL-B8 (low PS))
Show SMILES CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-9-22(7,17(3)4)12-11-19-13-24(15-25,29-21(19)27)16-28-20(26)14-23(8,10-2)18(5)6/h11,17-18,25H,9-10,12-16H2,1-8H3/b19-11-
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3.57n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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3.85n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86433
PNG
(CAS_454217 | NSC_454217 | Prostratin)
Show SMILES CC1CC2(OC(C)=O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:10,18|
Show InChI InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3
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4.83n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86430
PNG
((-)-Indolactam V | (-)-Indolactam V (low PS) | CAS...)
Show SMILES CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)
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8.16n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86435
PNG
(B8-DL-B8 | B8-DL-B8 (low PS))
Show SMILES CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-9-22(7,17(3)4)12-11-19-13-24(15-25,29-21(19)27)16-28-20(26)14-23(8,10-2)18(5)6/h11,17-18,25H,9-10,12-16H2,1-8H3/b19-11-
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10n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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10.7n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86435
PNG
(B8-DL-B8 | B8-DL-B8 (low PS))
Show SMILES CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-9-22(7,17(3)4)12-11-19-13-24(15-25,29-21(19)27)16-28-20(26)14-23(8,10-2)18(5)6/h11,17-18,25H,9-10,12-16H2,1-8H3/b19-11-
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10.8n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86435
PNG
(B8-DL-B8 | B8-DL-B8 (low PS))
Show SMILES CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-9-22(7,17(3)4)12-11-19-13-24(15-25,29-21(19)27)16-28-20(26)14-23(8,10-2)18(5)6/h11,17-18,25H,9-10,12-16H2,1-8H3/b19-11-
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11.6n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86430
PNG
((-)-Indolactam V | (-)-Indolactam V (low PS) | CAS...)
Show SMILES CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)
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12.6n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86433
PNG
(CAS_454217 | NSC_454217 | Prostratin)
Show SMILES CC1CC2(OC(C)=O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:10,18|
Show InChI InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3
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12.9n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86433
PNG
(CAS_454217 | NSC_454217 | Prostratin)
Show SMILES CC1CC2(OC(C)=O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:10,18|
Show InChI InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3
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24.6n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86435
PNG
(B8-DL-B8 | B8-DL-B8 (low PS))
Show SMILES CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-9-22(7,17(3)4)12-11-19-13-24(15-25,29-21(19)27)16-28-20(26)14-23(8,10-2)18(5)6/h11,17-18,25H,9-10,12-16H2,1-8H3/b19-11-
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26.1n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86436
PNG
(3-hydroxy-2-[4-methyl-3-(methylethyl)pentanoyloxy]...)
Show SMILES CCC(C)(CCOC(CO)COC(=O)CC(C)(CC)C(C)C)C(C)C
Show InChI InChI=1S/C21H42O4/c1-9-20(7,16(3)4)11-12-24-18(14-22)15-25-19(23)13-21(8,10-2)17(5)6/h16-18,22H,9-15H2,1-8H3
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28.6n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86436
PNG
(3-hydroxy-2-[4-methyl-3-(methylethyl)pentanoyloxy]...)
Show SMILES CCC(C)(CCOC(CO)COC(=O)CC(C)(CC)C(C)C)C(C)C
Show InChI InChI=1S/C21H42O4/c1-9-20(7,16(3)4)11-12-24-18(14-22)15-25-19(23)13-21(8,10-2)17(5)6/h16-18,22H,9-15H2,1-8H3
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30.9n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86430
PNG
((-)-Indolactam V | (-)-Indolactam V (low PS) | CAS...)
Show SMILES CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)
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38n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86430
PNG
((-)-Indolactam V | (-)-Indolactam V (low PS) | CAS...)
Show SMILES CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)
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43.1n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86430
PNG
((-)-Indolactam V | (-)-Indolactam V (low PS) | CAS...)
Show SMILES CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)
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48.1n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86436
PNG
(3-hydroxy-2-[4-methyl-3-(methylethyl)pentanoyloxy]...)
Show SMILES CCC(C)(CCOC(CO)COC(=O)CC(C)(CC)C(C)C)C(C)C
Show InChI InChI=1S/C21H42O4/c1-9-20(7,16(3)4)11-12-24-18(14-22)15-25-19(23)13-21(8,10-2)17(5)6/h16-18,22H,9-15H2,1-8H3
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90n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86440
PNG
(CAS_104731 | NSC_104731 | OAG)
Show SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(C)=O |w:8.7|
Show InChI InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3
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146n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86440
PNG
(CAS_104731 | NSC_104731 | OAG)
Show SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(C)=O |w:8.7|
Show InChI InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3
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224n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86440
PNG
(CAS_104731 | NSC_104731 | OAG)
Show SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(C)=O |w:8.7|
Show InChI InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3
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230n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082250
PNG
(2,2-Dimethyl-propionic acid 2-{[2-(4-hydroxy-3-met...)
Show SMILES COc1cc(CC(=O)NCC(CCc2ccccc2)COC(=O)C(C)(C)C)ccc1O
Show InChI InChI=1S/C25H33NO5/c1-25(2,3)24(29)31-17-20(11-10-18-8-6-5-7-9-18)16-26-23(28)15-19-12-13-21(27)22(14-19)30-4/h5-9,12-14,20,27H,10-11,15-17H2,1-4H3,(H,26,28)
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295n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082239
PNG
(2,2-Dimethyl-propionic acid 2-benzyl-3-[2-(4-hydro...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C24H31NO5/c1-24(2,3)23(28)30-16-19(12-17-8-6-5-7-9-17)15-25-22(27)14-18-10-11-20(26)21(13-18)29-4/h5-11,13,19,26H,12,14-16H2,1-4H3,(H,25,27)
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404n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082243
PNG
((E)-4-Benzyl-5-[2-(4-hydroxy-3-methoxy-phenyl)-ace...)
Show SMILES COc1cc(CC(=O)NCC(Cc2ccccc2)\C=C\C(=O)OC(C)(C)C)ccc1O
Show InChI InChI=1S/C25H31NO5/c1-25(2,3)31-24(29)13-11-20(14-18-8-6-5-7-9-18)17-26-23(28)16-19-10-12-21(27)22(15-19)30-4/h5-13,15,20,27H,14,16-17H2,1-4H3,(H,26,28)/b13-11+
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480n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082248
PNG
(2,2-Dimethyl-propionic acid (E)-2-{[2-(4-hydroxy-3...)
Show SMILES COc1cc(CC(=O)NC\C(COC(=O)C(C)(C)C)=C/Cc2ccccc2)ccc1O
Show InChI InChI=1S/C25H31NO5/c1-25(2,3)24(29)31-17-20(11-10-18-8-6-5-7-9-18)16-26-23(28)15-19-12-13-21(27)22(14-19)30-4/h5-9,11-14,27H,10,15-17H2,1-4H3,(H,26,28)/b20-11+
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1.22E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082242
PNG
(2-[4-(2-Amino-ethoxy)-3-methoxy-phenyl]-N-[3-(3,4-...)
Show SMILES COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN
Show InChI InChI=1S/C22H30N2O3/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082252
PNG
(7-Methyl-oct-6-enoic acid 4-hydroxy-3-methoxy-benz...)
Show SMILES [#6]-[#8]-c1cc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])ccc1-[#8]
Show InChI InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h7,9-11,19H,4-6,8,12H2,1-3H3,(H,18,20)
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5.31E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082240
PNG
(Acetic acid (E)-2-{[2-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(CC(=O)NC\C(COC(C)=O)=C/Cc2ccccc2)ccc1O
Show InChI InChI=1S/C22H25NO5/c1-16(24)28-15-19(9-8-17-6-4-3-5-7-17)14-23-22(26)13-18-10-11-20(25)21(12-18)27-2/h3-7,9-12,25H,8,13-15H2,1-2H3,(H,23,26)/b19-9+
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1.29E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082237
PNG
((E)-4-Benzyl-5-[2-(4-hydroxy-3-methoxy-phenyl)-ace...)
Show SMILES COC(=O)\C=C\C(CNC(=O)Cc1ccc(O)c(OC)c1)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c1-27-20-13-17(8-10-19(20)24)14-21(25)23-15-18(9-11-22(26)28-2)12-16-6-4-3-5-7-16/h3-11,13,18,24H,12,14-15H2,1-2H3,(H,23,25)/b11-9+
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1.35E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082238
PNG
(Acetic acid 2-benzyl-3-[2-(4-hydroxy-3-methoxy-phe...)
Show SMILES COc1cc(CC(=O)NCC(COC(C)=O)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C21H25NO5/c1-15(23)27-14-18(10-16-6-4-3-5-7-16)13-22-21(25)12-17-8-9-19(24)20(11-17)26-2/h3-9,11,18,24H,10,12-14H2,1-2H3,(H,22,25)
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1.93E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082236
PNG
(Acetic acid (Z)-2-{[2-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(CC(=O)NC\C(COC(C)=O)=C\Cc2ccccc2)ccc1O
Show InChI InChI=1S/C22H25NO5/c1-16(24)28-15-19(9-8-17-6-4-3-5-7-17)14-23-22(26)13-18-10-11-20(25)21(12-18)27-2/h3-7,9-12,25H,8,13-15H2,1-2H3,(H,23,26)/b19-9-
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2.92E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082245
PNG
(Acetic acid 2-{[2-(4-hydroxy-3-methoxy-phenyl)-ace...)
Show SMILES COc1cc(CC(=O)NCC(CCc2ccccc2)COC(C)=O)ccc1O
Show InChI InChI=1S/C22H27NO5/c1-16(24)28-15-19(9-8-17-6-4-3-5-7-17)14-23-22(26)13-18-10-11-20(25)21(12-18)27-2/h3-7,10-12,19,25H,8-9,13-15H2,1-2H3,(H,23,26)
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4.52E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082246
PNG
(Acetic acid 2-benzyloxymethyl-3-[2-(4-hydroxy-3-me...)
Show SMILES COc1cc(CC(=O)NCC(COCc2ccccc2)COC(C)=O)ccc1O
Show InChI InChI=1S/C22H27NO6/c1-16(24)29-15-19(14-28-13-17-6-4-3-5-7-17)12-23-22(26)11-18-8-9-20(25)21(10-18)27-2/h3-10,19,25H,11-15H2,1-2H3,(H,23,26)
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7.80E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082244
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (Z)-2-ace...)
Show SMILES COc1cc(CC(=O)OC\C(COC(C)=O)=C/COCc2ccccc2)ccc1O
Show InChI InChI=1S/C23H26O7/c1-17(24)29-15-20(10-11-28-14-18-6-4-3-5-7-18)16-30-23(26)13-19-8-9-21(25)22(12-19)27-2/h3-10,12,25H,11,13-16H2,1-2H3/b20-10-
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>1.00E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082253
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid 2-acetoxy...)
Show SMILES COc1cc(CC(=O)OCC(COC(C)=O)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C21H24O6/c1-15(22)26-13-18(10-16-6-4-3-5-7-16)14-27-21(24)12-17-8-9-19(23)20(11-17)25-2/h3-9,11,18,23H,10,12-14H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
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