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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'bhattacharrya' and Initial = 'd'   
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)
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)
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)
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)
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)
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)
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)
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
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)
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)
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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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)
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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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)
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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658n/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)
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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1.10E+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 (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
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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7.08E+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 (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