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Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'fujii' and Initial = 't'   
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
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50099066
PNG
(CHEMBL279115 | phorbol 13-acetate 12-myristate)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
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PubMed
0.450n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50099066
PNG
(CHEMBL279115 | phorbol 13-acetate 12-myristate)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50099066
PNG
(CHEMBL279115 | phorbol 13-acetate 12-myristate)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50099066
PNG
(CHEMBL279115 | phorbol 13-acetate 12-myristate)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50099066
PNG
(CHEMBL279115 | phorbol 13-acetate 12-myristate)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057509
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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23n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50057509
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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40n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50057509
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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43n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50057509
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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70n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057509
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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114n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50099067
PNG
(CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1
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150n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50099064
PNG
(CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1
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209n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50099067
PNG
(CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1
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228n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50099065
PNG
((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...)
Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1
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279n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50099067
PNG
(CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1
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327n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50099064
PNG
(CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1
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395n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50099065
PNG
((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...)
Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1
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469n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50099064
PNG
(CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1
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515n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50099065
PNG
((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...)
Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1
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580n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50099064
PNG
(CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1
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593n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50099067
PNG
(CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1
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674n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50099065
PNG
((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...)
Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1
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701n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50099067
PNG
(CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50099064
PNG
(CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...)
Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1
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1.37E+3n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50099065
PNG
((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...)
Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1
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1.63E+3n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50121716
PNG
((3-methyl-4-(3-(pyridin-3-ylmethylamino)propoxy)be...)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ccc(C)cn1
Show InChI InChI=1S/C25H25N3O3/c1-17-9-10-20(28-14-17)24(29)25-18(2)23-21(7-3-8-22(23)31-25)30-13-5-12-27-16-19-6-4-11-26-15-19/h3-4,6-11,14-15,27H,5,12-13,16H2,1-2H3
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n/an/a 0.390n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220561
PNG
(CHEMBL173370)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nc2ccccc2n1C
Show InChI InChI=1S/C27H26N4O3/c1-18-24-22(33-15-7-14-29-17-19-8-6-13-28-16-19)11-5-12-23(24)34-26(18)25(32)27-30-20-9-3-4-10-21(20)31(27)2/h3-6,8-13,16,29H,7,14-15,17H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220562
PNG
(CHEMBL171506)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nc2ccccc2n1CC=C
Show InChI InChI=1S/C29H28N4O3/c1-3-16-33-23-11-5-4-10-22(23)32-29(33)27(34)28-20(2)26-24(12-6-13-25(26)36-28)35-17-8-15-31-19-21-9-7-14-30-18-21/h3-7,9-14,18,31H,1,8,15-17,19H2,2H3
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n/an/a 0.580n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220565
PNG
(CHEMBL170524)
Show SMILES Cc1nc(sc1C)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C24H25N3O3S/c1-15-21-19(29-12-6-11-26-14-18-7-5-10-25-13-18)8-4-9-20(21)30-23(15)22(28)24-27-16(2)17(3)31-24/h4-5,7-10,13,26H,6,11-12,14H2,1-3H3
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n/an/a 0.710n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50030174
PNG
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2OCCOc2c1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C34H36N4O6/c1-36-21-26(25-10-6-7-11-28(25)36)33(41)38-20-24(39)18-29(38)32(40)35-27(34(42)37(2)19-22-8-4-3-5-9-22)16-23-12-13-30-31(17-23)44-15-14-43-30/h3-13,17,21,24,27,29,39H,14-16,18-20H2,1-2H3,(H,35,40)/t24-,27-,29?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane


J Med Chem 37: 2090-9 (1994)


Article DOI: 10.1021/jm00039a022
BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220569
PNG
(CHEMBL422896)
Show SMILES CC(C)n1c(nc2ccccc12)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C29H30N4O3/c1-19(2)33-23-11-5-4-10-22(23)32-29(33)27(34)28-20(3)26-24(12-6-13-25(26)36-28)35-16-8-15-31-18-21-9-7-14-30-17-21/h4-7,9-14,17,19,31H,8,15-16,18H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50121720
PNG
((1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRID...)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nccn1C
Show InChI InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50030199
PNG
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C34H35N5O4/c1-37-21-27(26-13-7-9-15-30(26)37)33(42)39-20-24(40)17-31(39)32(41)36-29(16-23-18-35-28-14-8-6-12-25(23)28)34(43)38(2)19-22-10-4-3-5-11-22/h3-15,18,21,24,29,31,35,40H,16-17,19-20H2,1-2H3,(H,36,41)/t24-,29-,31?/m1/s1
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Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane


J Med Chem 37: 2090-9 (1994)


Article DOI: 10.1021/jm00039a022
BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50030178
PNG
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C36H36N4O4/c1-38-23-30(29-14-8-9-15-32(29)38)35(43)40-22-28(41)20-33(40)34(42)37-31(36(44)39(2)21-24-10-4-3-5-11-24)19-25-16-17-26-12-6-7-13-27(26)18-25/h3-18,23,28,31,33,41H,19-22H2,1-2H3,(H,37,42)/t28-,31-,33?/m1/s1
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Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane


J Med Chem 37: 2090-9 (1994)


Article DOI: 10.1021/jm00039a022
BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50030204
PNG
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C32H34N4O5/c1-34-20-26(25-10-6-7-11-28(25)34)31(40)36-19-24(38)17-29(36)30(39)33-27(16-21-12-14-23(37)15-13-21)32(41)35(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,37-38H,16-19H2,1-2H3,(H,33,39)/t24-,27-,29?/m1/s1
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Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane


J Med Chem 37: 2090-9 (1994)


Article DOI: 10.1021/jm00039a022
BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220559
PNG
(CHEMBL422746)
Show SMILES Cc1csc(n1)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C23H23N3O3S/c1-15-14-30-23(26-15)21(27)22-16(2)20-18(7-3-8-19(20)29-22)28-11-5-10-25-13-17-6-4-9-24-12-17/h3-4,6-9,12,14,25H,5,10-11,13H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/a 2.30n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50030181
PNG
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C33H33F3N4O4/c1-38-20-26(25-13-6-7-14-28(25)38)31(43)40-19-24(41)17-29(40)30(42)37-27(16-22-11-8-12-23(15-22)33(34,35)36)32(44)39(2)18-21-9-4-3-5-10-21/h3-15,20,24,27,29,41H,16-19H2,1-2H3,(H,37,42)/t24-,27-,29?/m1/s1
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Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane


J Med Chem 37: 2090-9 (1994)


Article DOI: 10.1021/jm00039a022
BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220571
PNG
(CHEMBL355250)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ccccn1
Show InChI InChI=1S/C24H23N3O3/c1-17-22-20(29-14-6-12-26-16-18-7-5-11-25-15-18)9-4-10-21(22)30-24(17)23(28)19-8-2-3-13-27-19/h2-5,7-11,13,15,26H,6,12,14,16H2,1H3
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Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50030182
PNG
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C35H35N5O5/c1-37-21-28(27-13-7-8-14-30(27)37)34(44)40-20-25(42)17-32(40)33(43)36-29(35(45)38(2)18-23-10-4-3-5-11-23)16-24-19-39(22-41)31-15-9-6-12-26(24)31/h3-15,19,21-22,25,29,32,42H,16-18,20H2,1-2H3,(H,36,43)/t25-,29-,32?/m1/s1
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Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane


J Med Chem 37: 2090-9 (1994)


Article DOI: 10.1021/jm00039a022
BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50030210
PNG
((R)-1-[1-(2-Dimethylamino-ethyl)-1H-indole-3-carbo...)
Show SMILES CN(C)CCn1cc(C(=O)N2C[C@H](O)CC2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C35H41N5O4/c1-37(2)18-19-39-24-29(28-16-10-11-17-31(28)39)34(43)40-23-27(41)21-32(40)33(42)36-30(20-25-12-6-4-7-13-25)35(44)38(3)22-26-14-8-5-9-15-26/h4-17,24,27,30,32,41H,18-23H2,1-3H3,(H,36,42)/t27-,30-,32?/m1/s1
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Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane


J Med Chem 37: 2090-9 (1994)


Article DOI: 10.1021/jm00039a022
BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50109879
PNG
(CHEMBL155301 | Non peptidic, 4 | {3-[2-(2,3-Difluo...)
Show SMILES Cc1c(COc2cccc(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C25H24F2N2O3/c1-17-23(16-31-22-10-2-7-19(26)25(22)27)32-21-9-3-8-20(24(17)21)30-13-5-12-29-15-18-6-4-11-28-14-18/h2-4,6-11,14,29H,5,12-13,15-16H2,1H3
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Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans N-Myristoyltransferase (CaNmt) assessed as inhibitory concentration using substrate peptide and myristot...


Bioorg Med Chem Lett 12: 607-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00808-3
BindingDB Entry DOI: 10.7270/Q2PC34K1
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50109882
PNG
(3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...)
Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration (nM); 3.7-9.4 nM


Bioorg Med Chem Lett 12: 607-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00808-3
BindingDB Entry DOI: 10.7270/Q2PC34K1
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50219310
PNG
(CHEMBL155469)
Show SMILES Cc1c(COc2ccc(cc2)C#N)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C26H25N3O3/c1-19-25(18-31-22-10-8-20(15-27)9-11-22)32-24-7-2-6-23(26(19)24)30-14-4-13-29-17-21-5-3-12-28-16-21/h2-3,5-12,16,29H,4,13-14,17-18H2,1H3
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Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans N-Myristoyltransferase (Nmt)


Bioorg Med Chem Lett 12: 607-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00808-3
BindingDB Entry DOI: 10.7270/Q2PC34K1
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50219312
PNG
(CHEMBL158172)
Show SMILES Cc1c(COc2ccc(F)cc2)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C25H25FN2O3/c1-18-24(17-30-21-10-8-20(26)9-11-21)31-23-7-2-6-22(25(18)23)29-14-4-13-28-16-19-5-3-12-27-15-19/h2-3,5-12,15,28H,4,13-14,16-17H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration (nM)


Bioorg Med Chem Lett 12: 607-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00808-3
BindingDB Entry DOI: 10.7270/Q2PC34K1
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50219305
PNG
(CHEMBL347895)
Show SMILES Cc1c(COc2ccccc2F)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C25H25FN2O3/c1-18-24(17-30-21-9-3-2-8-20(21)26)31-23-11-4-10-22(25(18)23)29-14-6-13-28-16-19-7-5-12-27-15-19/h2-5,7-12,15,28H,6,13-14,16-17H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration


Bioorg Med Chem Lett 12: 607-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00808-3
BindingDB Entry DOI: 10.7270/Q2PC34K1
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50219303
PNG
(CHEMBL345893)
Show SMILES Cc1c(COc2ccc(F)cc2F)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C25H24F2N2O3/c1-17-24(16-31-21-9-8-19(26)13-20(21)27)32-23-7-2-6-22(25(17)23)30-12-4-11-29-15-18-5-3-10-28-14-18/h2-3,5-10,13-14,29H,4,11-12,15-16H2,1H3
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Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration (nM)


Bioorg Med Chem Lett 12: 607-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00808-3
BindingDB Entry DOI: 10.7270/Q2PC34K1
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50109879
PNG
(CHEMBL155301 | Non peptidic, 4 | {3-[2-(2,3-Difluo...)
Show SMILES Cc1c(COc2cccc(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C25H24F2N2O3/c1-17-23(16-31-22-10-2-7-19(26)25(22)27)32-21-9-3-8-20(24(17)21)30-13-5-12-29-15-18-6-4-11-28-14-18/h2-4,6-11,14,29H,5,12-13,15-16H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration (nM)


Bioorg Med Chem Lett 12: 607-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00808-3
BindingDB Entry DOI: 10.7270/Q2PC34K1
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50030188
PNG
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C32H33FN4O4/c1-35-20-26(25-10-6-7-11-28(25)35)31(40)37-19-24(38)17-29(37)30(39)34-27(16-21-12-14-23(33)15-13-21)32(41)36(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,38H,16-19H2,1-2H3,(H,34,39)/t24-,27-,29?/m1/s1
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Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane


J Med Chem 37: 2090-9 (1994)


Article DOI: 10.1021/jm00039a022
BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50218691
PNG
(CHEMBL51667)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO5/c1-6-23-18(22)17-12(2)16-14(8-7-9-15(16)25-17)24-11-13(21)10-20-19(3,4)5/h7-9,13,20-21H,6,10-11H2,1-5H3
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Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
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