Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50010335 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 |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537713
(CHEMBL4639749)Show SMILES Cc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O2/c1-17-10-12-18(13-11-17)25-27(35(36)37)24(14-19-15-30-16-31-19)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C gamma |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537716
(CHEMBL4642244)Show SMILES COc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-19-12-10-17(11-13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C beta 2 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10404
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C epsilon |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537714
(CHEMBL4642959)Show SMILES COc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-24-13-7-3-9-19(24)25-27(35(36)37)23(14-17-15-30-16-31-17)34-29(25)20-10-4-2-8-18(20)26-28(29)33-22-12-6-5-11-21(22)32-26/h2-13,15-16,23,25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C beta 1 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537712
(CHEMBL4633851)Show SMILES Cc1cccc(c1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O2/c1-17-7-6-8-18(13-17)25-27(35(36)37)24(14-19-15-30-16-31-19)34-29(25)21-10-3-2-9-20(21)26-28(29)33-23-12-5-4-11-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C beta 1 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537715
(CHEMBL4639357)Show SMILES COc1cccc(c1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-19-8-6-7-17(13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-10-3-2-9-20(21)26-28(29)33-23-12-5-4-11-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C beta 1 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537711
(CHEMBL4644961)Show SMILES Cc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O2/c1-17-8-2-3-9-19(17)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-11-5-4-10-20(21)26-28(29)33-23-13-7-6-12-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C gamma |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537716
(CHEMBL4642244)Show SMILES COc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-19-12-10-17(11-13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C epsilon |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537708
(CHEMBL4632770)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H22N6O2/c35-34(36)26-23(14-18-15-29-16-30-18)33-28(24(26)17-8-2-1-3-9-17)20-11-5-4-10-19(20)25-27(28)32-22-13-7-6-12-21(22)31-25/h1-13,15-16,23-24,26,33H,14H2,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C zeta |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537713
(CHEMBL4639749)Show SMILES Cc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O2/c1-17-10-12-18(13-11-17)25-27(35(36)37)24(14-19-15-30-16-31-19)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C delta |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537712
(CHEMBL4633851)Show SMILES Cc1cccc(c1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O2/c1-17-7-6-8-18(13-17)25-27(35(36)37)24(14-19-15-30-16-31-19)34-29(25)21-10-3-2-9-20(21)26-28(29)33-23-12-5-4-11-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition Protein kinase C gamma |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537711
(CHEMBL4644961)Show SMILES Cc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O2/c1-17-8-2-3-9-19(17)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-11-5-4-10-20(21)26-28(29)33-23-13-7-6-12-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C epsilon |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537714
(CHEMBL4642959)Show SMILES COc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-24-13-7-3-9-19(24)25-27(35(36)37)23(14-17-15-30-16-31-17)34-29(25)20-10-4-2-8-18(20)26-28(29)33-22-12-6-5-11-21(22)32-26/h2-13,15-16,23,25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C beta 1 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537717
(CHEMBL4632994)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccco1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C26H20N6O3/c33-32(34)24-20(12-15-13-27-14-28-15)31-26(22(24)21-10-5-11-35-21)17-7-2-1-6-16(17)23-25(26)30-19-9-4-3-8-18(19)29-23/h1-11,13-14,20,22,24,31H,12H2,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition Protein kinase C gamma |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537715
(CHEMBL4639357)Show SMILES COc1cccc(c1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-19-8-6-7-17(13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-10-3-2-9-20(21)26-28(29)33-23-12-5-4-11-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C delta |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537708
(CHEMBL4632770)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H22N6O2/c35-34(36)26-23(14-18-15-29-16-30-18)33-28(24(26)17-8-2-1-3-9-17)20-11-5-4-10-19(20)25-27(28)32-22-13-7-6-12-21(22)31-25/h1-13,15-16,23-24,26,33H,14H2,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C epsilon |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537709
(CHEMBL4648224)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccc(Br)cc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H21BrN6O2/c29-17-11-9-16(10-12-17)24-26(35(36)37)23(13-18-14-30-15-31-18)34-28(24)20-6-2-1-5-19(20)25-27(28)33-22-8-4-3-7-21(22)32-25/h1-12,14-15,23-24,26,34H,13H2,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C epsilon |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537718
(CHEMBL4636399)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccn1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C27H21N7O2/c35-34(36)25-22(13-16-14-28-15-30-16)33-27(23(25)21-11-5-6-12-29-21)18-8-2-1-7-17(18)24-26(27)32-20-10-4-3-9-19(20)31-24/h1-12,14-15,22-23,25,33H,13H2,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C delta |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50537710
(CHEMBL4646153)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccc(Cl)cc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H21ClN6O2/c29-17-11-9-16(10-12-17)24-26(35(36)37)23(13-18-14-30-15-31-18)34-28(24)20-6-2-1-5-19(20)25-27(28)33-22-8-4-3-7-21(22)32-25/h1-12,14-15,23-24,26,34H,13H2,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C zeta |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM10404
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 1.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C beta 1 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537710
(CHEMBL4646153)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccc(Cl)cc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H21ClN6O2/c29-17-11-9-16(10-12-17)24-26(35(36)37)23(13-18-14-30-15-31-18)34-28(24)20-6-2-1-5-19(20)25-27(28)33-22-8-4-3-7-21(22)32-25/h1-12,14-15,23-24,26,34H,13H2,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C beta 1 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537717
(CHEMBL4632994)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccco1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C26H20N6O3/c33-32(34)24-20(12-15-13-27-14-28-15)31-26(22(24)21-10-5-11-35-21)17-7-2-1-6-16(17)23-25(26)30-19-9-4-3-8-18(19)29-23/h1-11,13-14,20,22,24,31H,12H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C zeta |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537718
(CHEMBL4636399)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccn1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C27H21N7O2/c35-34(36)25-22(13-16-14-28-15-30-16)33-27(23(25)21-11-5-6-12-29-21)18-8-2-1-7-17(18)24-26(27)32-20-10-4-3-9-19(20)31-24/h1-12,14-15,22-23,25,33H,13H2,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C zeta |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50537709
(CHEMBL4648224)Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccc(Br)cc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H21BrN6O2/c29-17-11-9-16(10-12-17)24-26(35(36)37)23(13-18-14-30-15-31-18)34-28(24)20-6-2-1-5-19(20)25-27(28)33-22-8-4-3-7-21(22)32-25/h1-12,14-15,23-24,26,34H,13H2,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition Protein kinase C gamma |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN |
More data for this
Ligand-Target Pair | |
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