Found 149 hits of ic50 data for polymerid = 5111 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312905
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCC3CCCCC3)ccc12 |r| Show InChI InChI=1S/C28H37N3O2/c1-28-16-18-31(17-15-21-9-5-3-6-10-21)26(28)30(2)25-14-13-23(19-24(25)28)33-27(32)29-20-22-11-7-4-8-12-22/h3,5-6,9-10,13-14,19,22,26H,4,7-8,11-12,15-18,20H2,1-2H3,(H,29,32)/t26-,28-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467895
(CHEMBL4280262)Show SMILES [H][C@]12O[C@H](CNCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C31H47N3O4/c1-31(2)37-29-28(35)26(36-30(29)38-31)21-32-19-13-7-5-3-4-6-8-14-20-33-27-22-15-9-11-17-24(22)34-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-30,32,35H,3-8,10,12-14,16,18-21H2,1-2H3,(H,33,34)/t26-,28+,29-,30-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | CHEMBL5288285
| Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312902
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCc3ccccc3)ccc12 |r| Show InChI InChI=1S/C28H31N3O2/c1-28-16-18-31(17-15-21-9-5-3-6-10-21)26(28)30(2)25-14-13-23(19-24(25)28)33-27(32)29-20-22-11-7-4-8-12-22/h3-14,19,26H,15-18,20H2,1-2H3,(H,29,32)/t26-,28-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM8963
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM8963
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50014113
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1 Show InChI InChI=1S/C22H27N3O2/c1-22-12-14-25(13-11-16-7-5-4-6-8-16)20(22)24(3)19-10-9-17(15-18(19)22)27-21(26)23-2/h4-10,15,20H,11-14H2,1-3H3,(H,23,26)/t20-,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373109
(CHEMBL406645)Show SMILES CC[C@]1(CCCCN(CCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467892
(CHEMBL4283717)Show SMILES [H][C@]12O[C@H](CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C29H43N3O4/c1-29(2)35-27-26(33)24(34-28(27)36-29)19-30-17-11-5-3-4-6-12-18-31-25-20-13-7-9-15-22(20)32-23-16-10-8-14-21(23)25/h7,9,13,15,24,26-28,30,33H,3-6,8,10-12,14,16-19H2,1-2H3,(H,31,32)/t24-,26+,27-,28-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467891
(CHEMBL4279148)Show SMILES [H][C@]12O[C@H](CNCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C28H41N3O4/c1-28(2)34-26-25(32)23(33-27(26)35-28)18-29-16-10-4-3-5-11-17-30-24-19-12-6-8-14-21(19)31-22-15-9-7-13-20(22)24/h6,8,12,14,23,25-27,29,32H,3-5,7,9-11,13,15-18H2,1-2H3,(H,30,31)/t23-,25+,26-,27-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312892
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES CCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C27H37N3O2/c1-4-5-6-10-17-28-26(31)32-22-13-14-24-23(20-22)27(2)16-19-30(25(27)29(24)3)18-15-21-11-8-7-9-12-21/h7-9,11-14,20,25H,4-6,10,15-19H2,1-3H3,(H,28,31)/t25-,27-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312903
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCCc3ccccc3)ccc12 |r| Show InChI InChI=1S/C29H33N3O2/c1-29-17-20-32(19-16-23-11-7-4-8-12-23)27(29)31(2)26-14-13-24(21-25(26)29)34-28(33)30-18-15-22-9-5-3-6-10-22/h3-14,21,27H,15-20H2,1-2H3,(H,30,33)/t27-,29-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373108
(CHEMBL259523)Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C38H60N2O2/c1-3-37(33-19-17-21-35(41)29-33)23-11-15-27-39(31-37)25-13-9-7-5-6-8-10-14-26-40-28-16-12-24-38(4-2,32-40)34-20-18-22-36(42)30-34/h17-22,29-30,41-42H,3-16,23-28,31-32H2,1-2H3/t37-,38-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312904
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NC3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H35N3O2/c1-27-16-18-30(17-15-20-9-5-3-6-10-20)25(27)29(2)24-14-13-22(19-23(24)27)32-26(31)28-21-11-7-4-8-12-21/h3,5-6,9-10,13-14,19,21,25H,4,7-8,11-12,15-18H2,1-2H3,(H,28,31)/t25-,27-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467894
(CHEMBL4294287)Show SMILES [H][C@]12O[C@H](CNCCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C30H45N3O4/c1-30(2)36-28-27(34)25(35-29(28)37-30)20-31-18-12-6-4-3-5-7-13-19-32-26-21-14-8-10-16-23(21)33-24-17-11-9-15-22(24)26/h8,10,14,16,25,27-29,31,34H,3-7,9,11-13,15,17-20H2,1-2H3,(H,32,33)/t25-,27+,28-,29-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467898
(CHEMBL4282214)Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C34H51N3O5/c1-33(2)39-29-27(38-32-31(30(29)40-33)41-34(3,4)42-32)22-35-20-14-8-6-5-7-9-15-21-36-28-23-16-10-12-18-25(23)37-26-19-13-11-17-24(26)28/h10,12,16,18,27,29-32,35H,5-9,11,13-15,17,19-22H2,1-4H3,(H,36,37)/t27-,29+,30+,31-,32-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | CHEMBL5272055
| Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467892
(CHEMBL4283717)Show SMILES [H][C@]12O[C@H](CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C29H43N3O4/c1-29(2)35-27-26(33)24(34-28(27)36-29)19-30-17-11-5-3-4-6-12-18-31-25-20-13-7-9-15-22(20)32-23-16-10-8-14-21(23)25/h7,9,13,15,24,26-28,30,33H,3-6,8,10-12,14,16-19H2,1-2H3,(H,31,32)/t24-,26+,27-,28-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | CHEMBL5282048
| Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467896
(CHEMBL4287068)Show SMILES [H][C@]12O[C@H](CNCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C27H39N3O4/c1-27(2)33-25-24(31)22(32-26(25)34-27)17-28-15-9-3-4-10-16-29-23-18-11-5-7-13-20(18)30-21-14-8-6-12-19(21)23/h5,7,11,13,22,24-26,28,31H,3-4,6,8-10,12,14-17H2,1-2H3,(H,29,30)/t22-,24+,25-,26-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467894
(CHEMBL4294287)Show SMILES [H][C@]12O[C@H](CNCCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C30H45N3O4/c1-30(2)36-28-27(34)25(35-29(28)37-30)20-31-18-12-6-4-3-5-7-13-19-32-26-21-14-8-10-16-23(21)33-24-17-11-9-15-22(24)26/h8,10,14,16,25,27-29,31,34H,3-7,9,11-13,15,17-20H2,1-2H3,(H,32,33)/t25-,27+,28-,29-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467895
(CHEMBL4280262)Show SMILES [H][C@]12O[C@H](CNCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C31H47N3O4/c1-31(2)37-29-28(35)26(36-30(29)38-31)21-32-19-13-7-5-3-4-6-8-14-20-33-27-22-15-9-11-17-24(22)34-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-30,32,35H,3-8,10,12-14,16,18-21H2,1-2H3,(H,33,34)/t26-,28+,29-,30-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467890
(CHEMBL4290902)Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2CNCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C30H45N3O4/c1-30(2)36-27-25(35-29(34-3)28(27)37-30)20-31-18-12-6-4-5-7-13-19-32-26-21-14-8-10-16-23(21)33-24-17-11-9-15-22(24)26/h8,10,14,16,25,27-29,31H,4-7,9,11-13,15,17-20H2,1-3H3,(H,32,33)/t25-,27-,28-,29-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467893
(CHEMBL4276832)Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2CNCCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C31H47N3O4/c1-31(2)37-28-26(36-30(35-3)29(28)38-31)21-32-19-13-7-5-4-6-8-14-20-33-27-22-15-9-11-17-24(22)34-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-30,32H,4-8,10,12-14,16,18-21H2,1-3H3,(H,33,34)/t26-,28-,29-,30-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467897
(CHEMBL4287482)Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C33H49N3O5/c1-32(2)38-28-26(37-31-30(29(28)39-32)40-33(3,4)41-31)21-34-19-13-7-5-6-8-14-20-35-27-22-15-9-11-17-24(22)36-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-31,34H,5-8,10,12-14,16,18-21H2,1-4H3,(H,35,36)/t26-,28+,29+,30-,31-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467898
(CHEMBL4282214)Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C34H51N3O5/c1-33(2)39-29-27(38-32-31(30(29)40-33)41-34(3,4)42-32)22-35-20-14-8-6-5-7-9-15-21-36-28-23-16-10-12-18-25(23)37-26-19-13-11-17-24(26)28/h10,12,16,18,27,29-32,35H,5-9,11,13-15,17,19-22H2,1-4H3,(H,36,37)/t27-,29+,30+,31-,32-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM11682
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasma BuChE using S-butyrylacetylthiocholine iodide as substrate measured after 30 mins by Ellman's method relative to control |
Eur J Med Chem 168: 207-220 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.053
BindingDB Entry DOI: 10.7270/Q2DN48JW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | 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) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373110
(CHEMBL410915)Show SMILES CC[C@]1(CCCCN(CCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C36H56N2O2/c1-3-35(31-17-15-19-33(39)27-31)21-9-13-25-37(29-35)23-11-7-5-6-8-12-24-38-26-14-10-22-36(4-2,30-38)32-18-16-20-34(40)28-32/h15-20,27-28,39-40H,3-14,21-26,29-30H2,1-2H3/t35-,36-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | 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) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50467893
(CHEMBL4276832)Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2CNCCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C31H47N3O4/c1-31(2)37-28-26(36-30(35-3)29(28)38-31)21-32-19-13-7-5-4-6-8-14-20-33-27-22-15-9-11-17-24(22)34-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-30,32H,4-8,10,12-14,16,18-21H2,1-3H3,(H,33,34)/t26-,28-,29-,30-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio Grande do Sul
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate... |
Bioorg Med Chem 26: 5566-5577 (2018)
Article DOI: 10.1016/j.bmc.2018.10.003
BindingDB Entry DOI: 10.7270/Q2B56NFD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | CHEMBL5285687
| Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373118
(CHEMBL406885)Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C39H62N2O2/c1-3-38(34-20-18-22-36(42)30-34)24-12-16-28-40(32-38)26-14-10-8-6-5-7-9-11-15-27-41-29-17-13-25-39(4-2,33-41)35-21-19-23-37(43)31-35/h18-23,30-31,42-43H,3-17,24-29,32-33H2,1-2H3/t38-,39-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312897
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES CN(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H34N4O2/c1-29-17-19-33(18-16-21-8-6-5-7-9-21)27(29)32(4)26-15-14-24(20-25(26)29)35-28(34)30-22-10-12-23(13-11-22)31(2)3/h5-15,20,27H,16-19H2,1-4H3,(H,30,34)/t27-,29-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312887
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C28H31N3O3/c1-28-16-18-31(17-15-20-7-5-4-6-8-20)26(28)30(2)25-14-13-23(19-24(25)28)34-27(32)29-21-9-11-22(33-3)12-10-21/h4-14,19,26H,15-18H2,1-3H3,(H,29,32)/t26-,28-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312890
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1OC |r| Show InChI InChI=1S/C29H33N3O4/c1-29-15-17-32(16-14-20-8-6-5-7-9-20)27(29)31(2)24-12-11-22(19-23(24)29)36-28(33)30-21-10-13-25(34-3)26(18-21)35-4/h5-13,18-19,27H,14-17H2,1-4H3,(H,30,33)/t27-,29-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312891
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc4OCOc4c3)ccc12 |r| Show InChI InChI=1S/C28H29N3O4/c1-28-13-15-31(14-12-19-6-4-3-5-7-19)26(28)30(2)23-10-9-21(17-22(23)28)35-27(32)29-20-8-11-24-25(16-20)34-18-33-24/h3-11,16-17,26H,12-15,18H2,1-2H3,(H,29,32)/t26-,28-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1721-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373117
(CHEMBL265214)Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C40H64N2O2/c1-3-39(35-21-19-23-37(43)31-35)25-13-17-29-41(33-39)27-15-11-9-7-5-6-8-10-12-16-28-42-30-18-14-26-40(4-2,34-42)36-22-20-24-38(44)32-36/h19-24,31-32,43-44H,3-18,25-30,33-34H2,1-2H3/t39-,40-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373111
(CHEMBL258935)Show SMILES CC[C@]1(CCCCN(CCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C35H54N2O2/c1-3-34(30-16-14-18-32(38)26-30)20-8-12-24-36(28-34)22-10-6-5-7-11-23-37-25-13-9-21-35(4-2,29-37)31-17-15-19-33(39)27-31/h14-19,26-27,38-39H,3-13,20-25,28-29H2,1-2H3/t34-,35-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373114
(CHEMBL409858)Show SMILES CC[C@]1(CCCCN(CCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C32H48N2O2/c1-3-31(27-13-11-15-29(35)23-27)17-5-7-19-33(25-31)21-9-10-22-34-20-8-6-18-32(4-2,26-34)28-14-12-16-30(36)24-28/h11-16,23-24,35-36H,3-10,17-22,25-26H2,1-2H3/t31-,32-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373112
(CHEMBL258505)Show SMILES CC[C@]1(CCCCN(CCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C34H52N2O2/c1-3-33(29-15-13-17-31(37)25-29)19-7-11-23-35(27-33)21-9-5-6-10-22-36-24-12-8-20-34(4-2,28-36)30-16-14-18-32(38)26-30/h13-18,25-26,37-38H,3-12,19-24,27-28H2,1-2H3/t33-,34-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373119
(CHEMBL411226)Show SMILES CC[C@]1(CCCCN(CCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C30H44N2O2/c1-3-29(25-11-9-13-27(33)21-25)15-5-7-17-31(23-29)19-20-32-18-8-6-16-30(4-2,24-32)26-12-10-14-28(34)22-26/h9-14,21-22,33-34H,3-8,15-20,23-24H2,1-2H3/t29-,30-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373115
(CHEMBL258468)Show SMILES CC[C@]1(CCCCN(CCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C31H46N2O2/c1-3-30(26-12-9-14-28(34)22-26)16-5-7-18-32(24-30)20-11-21-33-19-8-6-17-31(4-2,25-33)27-13-10-15-29(35)23-27/h9-10,12-15,22-23,34-35H,3-8,11,16-21,24-25H2,1-2H3/t30-,31-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312815
((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-2-yl)ethyl)-...)Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccn5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H34N4O2/c1-20(2)21-8-10-23(11-9-21)31-28(34)35-24-12-13-26-25(19-24)29(3)15-18-33(27(29)32(26)4)17-14-22-7-5-6-16-30-22/h5-13,16,19-20,27H,14-15,17-18H2,1-4H3,(H,31,34)/t27-,29-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1718-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.057
BindingDB Entry DOI: 10.7270/Q2RV0NV4 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312817
((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-4-yl)ethyl)-...)Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccncc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H34N4O2/c1-20(2)22-5-7-23(8-6-22)31-28(34)35-24-9-10-26-25(19-24)29(3)14-18-33(27(29)32(26)4)17-13-21-11-15-30-16-12-21/h5-12,15-16,19-20,27H,13-14,17-18H2,1-4H3,(H,31,34)/t27-,29-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1718-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.057
BindingDB Entry DOI: 10.7270/Q2RV0NV4 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312818
((3aS,8aR)-3a,8-dimethyl-1-(2-(piperidin-1-yl)ethyl...)Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCN5CCCCC5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H40N4O2/c1-21(2)22-8-10-23(11-9-22)30-28(34)35-24-12-13-26-25(20-24)29(3)14-17-33(27(29)31(26)4)19-18-32-15-6-5-7-16-32/h8-13,20-21,27H,5-7,14-19H2,1-4H3,(H,30,34)/t27-,29-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1718-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.057
BindingDB Entry DOI: 10.7270/Q2RV0NV4 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50312816
((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-3-yl)ethyl)-...)Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5cccnc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H34N4O2/c1-20(2)22-7-9-23(10-8-22)31-28(34)35-24-11-12-26-25(18-24)29(3)14-17-33(27(29)32(26)4)16-13-21-6-5-15-30-19-21/h5-12,15,18-20,27H,13-14,16-17H2,1-4H3,(H,31,34)/t27-,29-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1718-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.057
BindingDB Entry DOI: 10.7270/Q2RV0NV4 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50585446
(CHEMBL5076629)Show SMILES O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BuChE in mouse serum using butyrylthiocholine iodide as substrate incubated for 20 mins by Ellman's method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114045
BindingDB Entry DOI: 10.7270/Q29K4G4C |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM50373113
(CHEMBL408463)Show SMILES CCC1(CCCCN(CCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 |w:2.1| Show InChI InChI=1S/C33H50N2O2/c1-3-32(28-14-12-16-30(36)24-28)18-6-10-22-34(26-32)20-8-5-9-21-35-23-11-7-19-33(4-2,27-35)29-15-13-17-31(37)25-29/h12-17,24-25,36-37H,3-11,18-23,26-27H2,1-2H3/t32-,33?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE |
J Med Chem 51: 2027-36 (2008)
Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Mus musculus (Mouse)) | BDBM10960
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2C |r| Show InChI InChI=1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21-,23+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method |
Bioorg Med Chem Lett 20: 1718-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.057
BindingDB Entry DOI: 10.7270/Q2RV0NV4 |
More data for this
Ligand-Target Pair | |
Search and Browse
