Found 6 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 |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50435960
(CHEMBL2391486)Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C31H34N4O4/c1-21-18-30(37)39-28-19-22(10-11-23(21)28)38-17-16-34-12-14-35(15-13-34)20-29(36)33-31-24-6-2-4-8-26(24)32-27-9-5-3-7-25(27)31/h2,4,6,8,10-11,18-19H,3,5,7,9,12-17,20H2,1H3,(H,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of AChE (unknown origin) |
Bioorg Med Chem 22: 3806-14 (2014)
Article DOI: 10.1016/j.bmc.2014.05.032
BindingDB Entry DOI: 10.7270/Q2RF5WN3 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50045732
(CHEMBL3309944)Show SMILES Cc1cc(=O)oc2cc(OCCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C36H44N4O4/c1-26-23-35(42)44-33-24-27(15-16-28(26)33)43-22-10-4-2-3-9-17-39-18-20-40(21-19-39)25-34(41)38-36-29-11-5-7-13-31(29)37-32-14-8-6-12-30(32)36/h5,7,11,13,15-16,23-24H,2-4,6,8-10,12,14,17-22,25H2,1H3,(H,37,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of BuChE (unknown origin) |
Bioorg Med Chem 22: 3806-14 (2014)
Article DOI: 10.1016/j.bmc.2014.05.032
BindingDB Entry DOI: 10.7270/Q2RF5WN3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | 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
| PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of AChE (unknown origin) |
Bioorg Med Chem 22: 3806-14 (2014)
Article DOI: 10.1016/j.bmc.2014.05.032
BindingDB Entry DOI: 10.7270/Q2RF5WN3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of AChE (unknown origin) |
Bioorg Med Chem 22: 3806-14 (2014)
Article DOI: 10.1016/j.bmc.2014.05.032
BindingDB Entry DOI: 10.7270/Q2RF5WN3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of BuChE (unknown origin) |
Bioorg Med Chem 22: 3806-14 (2014)
Article DOI: 10.1016/j.bmc.2014.05.032
BindingDB Entry DOI: 10.7270/Q2RF5WN3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50045828
(CHEMBL3309834)Show SMILES COc1ccc(\C=C\C(=O)c2c(O)ccc3c(C)cc(=O)oc23)cc1O Show InChI InChI=1S/C20H16O6/c1-11-9-18(24)26-20-13(11)5-7-15(22)19(20)14(21)6-3-12-4-8-17(25-2)16(23)10-12/h3-10,22-23H,1-2H3/b6-3+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of Src kinase (unknown origin) |
Bioorg Med Chem 22: 3806-14 (2014)
Article DOI: 10.1016/j.bmc.2014.05.032
BindingDB Entry DOI: 10.7270/Q2RF5WN3 |
More data for this
Ligand-Target Pair | |
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