Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50010118 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)) | BDBM50091249
(CHEMBL108303 | Nonanoic acid 2-hydroxy-1-(4-nonyli...)Show SMILES CCCCCCCC\C=C1/CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC Show InChI InChI=1S/C24H42O5/c1-3-5-7-9-11-12-14-16-20-18-21(29-24(20)27)22(19-25)28-23(26)17-15-13-10-8-6-4-2/h16,21-22,25H,3-15,17-19H2,1-2H3/b20-16+/t21?,22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091254
(CHEMBL109630 | Nonanoic acid (S)-2-hydroxy-1-(4-no...)Show SMILES CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC Show InChI InChI=1S/C24H42O5/c1-3-5-7-9-11-12-14-16-20-18-21(29-24(20)27)22(19-25)28-23(26)17-15-13-10-8-6-4-2/h16,21-22,25H,3-15,17-19H2,1-2H3/b20-16-/t21?,22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091247
(CHEMBL110779 | Decanoic acid 2-hydroxymethyl-4-(3-...)Show SMILES CCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1 Show InChI InChI=1S/C21H36O5/c1-4-5-6-7-8-9-10-11-19(23)25-16-21(15-22)14-18(20(24)26-21)13-12-17(2)3/h13,17,22H,4-12,14-16H2,1-3H3/b18-13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091245
(3-Methyl-butyric acid 2-hydroxymethyl-4-(3-methyl-...)Show InChI InChI=1S/C16H26O5/c1-11(2)5-6-13-8-16(9-17,21-15(13)19)10-20-14(18)7-12(3)4/h6,11-12,17H,5,7-10H2,1-4H3/b13-6- | 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
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091260
(3-Methyl-butyric acid 4-decylidene-2-hydroxymethyl...)Show InChI InChI=1S/C21H36O5/c1-4-5-6-7-8-9-10-11-12-18-14-21(15-22,26-20(18)24)16-25-19(23)13-17(2)3/h12,17,22H,4-11,13-16H2,1-3H3/b18-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091246
(Acetic acid 4-((E)-heptadec-9-enylidene)-2-hydroxy...)Show SMILES CCCCCCC\C=C\CCCCCCC\C=C1\CC(CO)(COC(C)=O)OC1=O Show InChI InChI=1S/C25H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-25(20-26,30-24(23)28)21-29-22(2)27/h9-10,18,26H,3-8,11-17,19-21H2,1-2H3/b10-9+,23-18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091258
(CHEMBL323750 | Octadec-9-enoic acid 2-hydroxymethy...)Show InChI InChI=1S/C24H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)28-21-24(20-25)19-18-23(27)29-24/h9-10,25H,2-8,11-21H2,1H3/b10-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091251
(3-Methyl-butyric acid (S)-2-hydroxy-1-[4-(3-methyl...)Show InChI InChI=1S/C16H26O5/c1-10(2)5-6-12-8-13(21-16(12)19)14(9-17)20-15(18)7-11(3)4/h6,10-11,13-14,17H,5,7-9H2,1-4H3/b12-6-/t13?,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091248
(CHEMBL439594 | Nonanoic acid (S)-2-hydroxy-1-[4-(3...)Show SMILES CCCCCCCCC(=O)O[C@@H](CO)C1C\C(=C\CC(C)C)C(=O)O1 Show InChI InChI=1S/C20H34O5/c1-4-5-6-7-8-9-10-19(22)24-18(14-21)17-13-16(20(23)25-17)12-11-15(2)3/h12,15,17-18,21H,4-11,13-14H2,1-3H3/b16-12-/t17?,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 499 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091259
(3-Methyl-butyric acid (S)-2-hydroxy-1-(4-nonyliden...)Show SMILES CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CC(C)C Show InChI InChI=1S/C20H34O5/c1-4-5-6-7-8-9-10-11-16-13-17(25-20(16)23)18(14-21)24-19(22)12-15(2)3/h11,15,17-18,21H,4-10,12-14H2,1-3H3/b16-11-/t17?,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 565 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50023909
(CHEMBL2111705)Show SMILES CCCCCCCC\C=C1/CC(OC1=O)[C@H](CO)OC(=O)CC(C)C Show InChI InChI=1S/C20H34O5/c1-4-5-6-7-8-9-10-11-16-13-17(25-20(16)23)18(14-21)24-19(22)12-15(2)3/h11,15,17-18,21H,4-10,12-14H2,1-3H3/b16-11+/t17?,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 579 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50023912
(CHEMBL2111703)Show InChI InChI=1S/C16H26O5/c1-10(2)5-6-12-8-13(21-16(12)19)14(9-17)20-15(18)7-11(3)4/h6,10-11,13-14,17H,5,7-9H2,1-4H3/b12-6+/t13?,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 679 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50091252
(CHEMBL108443 | Tetradecanoic acid (S)-2-hydroxy-1-...)Show InChI InChI=1S/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-18(16-21)17-14-15-20(23)24-17/h17-18,21H,2-16H2,1H3/t17?,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+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
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50023911
(CHEMBL2111704)Show SMILES CCCCCCCCC(=O)O[C@@H](CO)C1C\C(=C/CC(C)C)C(=O)O1 Show InChI InChI=1S/C20H34O5/c1-4-5-6-7-8-9-10-19(22)24-18(14-21)17-13-16(20(23)25-17)12-11-15(2)3/h12,15,17-18,21H,4-11,13-14H2,1-3H3/b16-12+/t17?,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.09E+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
Affinity for protein kinase C alpha |
J Med Chem 43: 3209-17 (2000)
BindingDB Entry DOI: 10.7270/Q2WH2P71 |
More data for this
Ligand-Target Pair | |
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