Found 7 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50085904
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha |
Bioorg Med Chem Lett 10: 653-5 (2000)
BindingDB Entry DOI: 10.7270/Q2G16011 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50087241
(3-Isopropyl-4-methyl-pentanoic acid (S)-1-hydroxym...)Show SMILES CC(C)C(CC(=O)OC[C@H](CO)OC(=O)CC(C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C21H40O5/c1-13(2)18(14(3)4)9-20(23)25-12-17(11-22)26-21(24)10-19(15(5)6)16(7)8/h13-19,22H,9-12H2,1-8H3/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha |
Bioorg Med Chem Lett 10: 653-5 (2000)
BindingDB Entry DOI: 10.7270/Q2G16011 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50015677
((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...)Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha |
Bioorg Med Chem Lett 10: 653-5 (2000)
BindingDB Entry DOI: 10.7270/Q2G16011 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50087239
(CHEMBL345343 | Diacylglycerol derivative)Show SMILES OC[C@@H](COC(=O)C12CC3CC(CC(C3)C1)C2)OC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:21.22.27,14:13:16:8.9.10,14:9:16:15.13.12,27:22:29:28.26.25,27:26:29:21.22.23,THB:23:22:28:29.24.25,12:13:8:16.11.10,12:11:8:15.13.14| Show InChI InChI=1S/C25H36O5/c26-13-21(30-23(28)25-10-18-4-19(11-25)6-20(5-18)12-25)14-29-22(27)24-7-15-1-16(8-24)3-17(2-15)9-24/h15-21,26H,1-14H2/t15?,16?,17?,18?,19?,20?,21-,24?,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha |
Bioorg Med Chem Lett 10: 653-5 (2000)
BindingDB Entry DOI: 10.7270/Q2G16011 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50087237
(AutoNom Name: | CHEMBL158666)Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)O[C@@H](CO)COC(C)=O Show InChI InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)28-22(19-24)20-27-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10+/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha |
Bioorg Med Chem Lett 10: 653-5 (2000)
BindingDB Entry DOI: 10.7270/Q2G16011 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50087240
((E)-Octadec-9-enoic acid (S)-1-hydroxymethyl-2-((E...)Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C\CCCCCCCC Show InChI InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha |
Bioorg Med Chem Lett 10: 653-5 (2000)
BindingDB Entry DOI: 10.7270/Q2G16011 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50087238
(2,2-Dimethyl-propionic acid 2-(2,2-dimethyl-propio...)Show InChI InChI=1S/C13H24O5/c1-12(2,3)10(15)17-8-9(7-14)18-11(16)13(4,5)6/h9,14H,7-8H2,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha |
Bioorg Med Chem Lett 10: 653-5 (2000)
BindingDB Entry DOI: 10.7270/Q2G16011 |
More data for this
Ligand-Target Pair | |
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