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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'lorenzo' and Initial = 'ps'   
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 delta type


(Mus musculus)
BDBM50057514
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)
Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](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)/t20-,24-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C delta C1b domain


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain (Wild type)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (F13G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=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(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.351n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain (Wild type)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C delta type


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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0.351n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to wild-type Protein kinase C delta C1b domain


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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0.720n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T12G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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0.820n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Phe13 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=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(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.820n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (F13G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAS guanyl-releasing protein 1


(Rattus norvegicus)
BDBM50057514
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)
Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](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)/t20-,24-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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1.08n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (L20G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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1.24n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Thr12 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=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(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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1.24n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T12G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C delta type


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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1.41n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (Q27V)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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2.01n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain (Wild type)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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2.01n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to wild-type Protein kinase C delta C1b domain


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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2.01n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C delta C1b domain


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Rattus norvegicus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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2.54n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099645
PNG
(CHEMBL49689 | Thymeleatoxin)
Show SMILES C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2C4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C |t:33,TLB:15:16:19:14.2.1|
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/b16-15+/t21-,24-,26+,28-,29?,30-,31-,32+,33-,34+,35+,36?/m1/s1
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2.71n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain (Wild type)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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3.14n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T8G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Rattus norvegicus)
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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6.15n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=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(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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6.59n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (L20G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C delta type


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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6.59n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Leu20 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099645
PNG
(CHEMBL49689 | Thymeleatoxin)
Show SMILES C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2C4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C |t:33,TLB:15:16:19:14.2.1|
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/b16-15+/t21-,24-,26+,28-,29?,30-,31-,32+,33-,34+,35+,36?/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (F13G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
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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10.7n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C delta C1b domain


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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10.8n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain mutant (P11G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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10.9n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (F13G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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10.9n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Phe13 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099645
PNG
(CHEMBL49689 | Thymeleatoxin)
Show SMILES C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2C4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C |t:33,TLB:15:16:19:14.2.1|
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/b16-15+/t21-,24-,26+,28-,29?,30-,31-,32+,33-,34+,35+,36?/m1/s1
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11.3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (L20G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Rattus norvegicus)
BDBM50096601
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-7...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC
Show InChI InChI=1S/C26H40N2O3/c1-6-7-8-9-10-11-12-13-14-20-15-16-23-22(25(20)31-5)17-21(18-29)27-26(30)24(19(2)3)28(23)4/h15-16,19,21,24,29H,6-12,17-18H2,1-5H3,(H,27,30)/t21-,24-/m0/s1
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13.9n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=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(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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14.2n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (Q27V)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C delta type


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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14.2n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Gln27 to Val)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Ras guanyl-releasing protein 3


(Homo sapiens (Human))
BDBM50106245
PNG
(2-{4-hydroxy-3-hydroxymethyl-2-(3-hydroxypropyl)-4...)
Show SMILES C[C@H]1CC=C(C)[C@@H](\C=C\C(\C)=C/CC[C@@]2(CO)[C@H](CCCO)\C(CC[C@]2(C)O)=C(\C)C=O)C1(C)C |t:3|
Show InChI InChI=1S/C31H50O4/c1-22(12-15-27-23(2)13-14-25(4)29(27,5)6)10-8-17-31(21-34)28(11-9-19-32)26(24(3)20-33)16-18-30(31,7)35/h10,12-13,15,20,25,27-28,32,34-35H,8-9,11,14,16-19,21H2,1-7H3/b15-12+,22-10-,26-24-/t25-,27+,28+,30-,31+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Michigan Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity for RasGPR3, guanine nucleotide exchange factor


J Med Chem 44: 3872-80 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037F5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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18.4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Tyr8 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=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(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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18.4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T8G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C delta type


(Mus musculus)
BDBM50099645
PNG
(CHEMBL49689 | Thymeleatoxin)
Show SMILES C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2C4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C |t:33,TLB:15:16:19:14.2.1|
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/b16-15+/t21-,24-,26+,28-,29?,30-,31-,32+,33-,34+,35+,36?/m1/s1
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19.1n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T12G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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25n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Trp22 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=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(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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25n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (W22G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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25.3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Thr12 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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25.3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T12G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50096601
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-7...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC
Show InChI InChI=1S/C26H40N2O3/c1-6-7-8-9-10-11-12-13-14-20-15-16-23-22(25(20)31-5)17-21(18-29)27-26(30)24(19(2)3)28(23)4/h15-16,19,21,24,29H,6-12,17-18H2,1-5H3,(H,27,30)/t21-,24-/m0/s1
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35.1n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C delta C1b domain


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
Ras guanyl-releasing protein 3


(Homo sapiens (Human))
BDBM50106244
PNG
(6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6]-[#8]-[#6](-[#6])=O)=[#6]\[#6]=[#6]\[#6](=[#6])-[#6@@H]-1-[#6]-[#6][C@@]2([#6@@H]-1-[#8])[#6@H](-[#6]-[#6]-[#6]-[#8])\[#6](-[#6]-[#6][C@]2([#6])[#8])=[#6](\[#6])-[#6]=O
Show InChI InChI=1S/C32H48O6/c1-22(2)10-7-12-26(21-38-25(5)35)13-8-11-23(3)28-16-18-32(30(28)36)29(14-9-19-33)27(24(4)20-34)15-17-31(32,6)37/h8,10-11,13,20,28-30,33,36-37H,3,7,9,12,14-19,21H2,1-2,4-6H3/b11-8+,26-13-,27-24-/t28-,29+,30+,31-,32-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Michigan Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity for RasGPR3, guanine nucleotide exchange factor


J Med Chem 44: 3872-80 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037F5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099645
PNG
(CHEMBL49689 | Thymeleatoxin)
Show SMILES C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2C4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C |t:33,TLB:15:16:19:14.2.1|
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/b16-15+/t21-,24-,26+,28-,29?,30-,31-,32+,33-,34+,35+,36?/m1/s1
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47.1n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (Q27V)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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66.2n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Leu20 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](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)/t12-,16-/m0/s1
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66.2n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (L20G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50106245
PNG
(2-{4-hydroxy-3-hydroxymethyl-2-(3-hydroxypropyl)-4...)
Show SMILES C[C@H]1CC=C(C)[C@@H](\C=C\C(\C)=C/CC[C@@]2(CO)[C@H](CCCO)\C(CC[C@]2(C)O)=C(\C)C=O)C1(C)C |t:3|
Show InChI InChI=1S/C31H50O4/c1-22(12-15-27-23(2)13-14-25(4)29(27,5)6)10-8-17-31(21-34)28(11-9-19-32)26(24(3)20-33)16-18-30(31,7)35/h10,12-13,15,20,25,27-28,32,34-35H,8-9,11,14,16-19,21H2,1-7H3/b15-12+,22-10-,26-24-/t25-,27+,28+,30-,31+/m0/s1
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76n/an/an/an/an/an/an/an/a



University of Michigan Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity for PKC alpha (C1b domain)


J Med Chem 44: 3872-80 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037F5
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50106244
PNG
(6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6]-[#8]-[#6](-[#6])=O)=[#6]\[#6]=[#6]\[#6](=[#6])-[#6@@H]-1-[#6]-[#6][C@@]2([#6@@H]-1-[#8])[#6@H](-[#6]-[#6]-[#6]-[#8])\[#6](-[#6]-[#6][C@]2([#6])[#8])=[#6](\[#6])-[#6]=O
Show InChI InChI=1S/C32H48O6/c1-22(2)10-7-12-26(21-38-25(5)35)13-8-11-23(3)28-16-18-32(30(28)36)29(14-9-19-33)27(24(4)20-34)15-17-31(32,6)37/h8,10-11,13,20,28-30,33,36-37H,3,7,9,12,14-19,21H2,1-2,4-6H3/b11-8+,26-13-,27-24-/t28-,29+,30+,31-,32-/m0/s1
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84n/an/an/an/an/an/an/an/a



University of Michigan Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity for PKC alpha (C1b domain)


J Med Chem 44: 3872-80 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037F5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099645
PNG
(CHEMBL49689 | Thymeleatoxin)
Show SMILES C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2C4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C |t:33,TLB:15:16:19:14.2.1|
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/b16-15+/t21-,24-,26+,28-,29?,30-,31-,32+,33-,34+,35+,36?/m1/s1
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86.6n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T8G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=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(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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210n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain mutant (P11G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C delta type


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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Article
PubMed
210n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Pro11 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50099645
PNG
(CHEMBL49689 | Thymeleatoxin)
Show SMILES C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2C4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C |t:33,TLB:15:16:19:14.2.1|
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/b16-15+/t21-,24-,26+,28-,29?,30-,31-,32+,33-,34+,35+,36?/m1/s1
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417n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain mutant (P11G)


J Med Chem 44: 1690-701 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1ZX3
More data for this
Ligand-Target Pair
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