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BDBM50092015 (10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraene-11-thione::CHEMBL63262

SMILES: CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23

InChI Key: InChIKey=RVIJQMOQZFCSHL-LRDDRELGSA-N

Data: 13 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50092015   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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21n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity for Protein kinase C eta C1a domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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42n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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62n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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68n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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180n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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226n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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262n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C alpha C1a domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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288n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C gamma C1a domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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296n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity for Protein kinase C beta C1b domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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2.14E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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2.16E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C eta C1a domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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2.95E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C alpha C1a domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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3.86E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C epsilon C1a domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair