new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'cordell' and Initial = 'ga'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 640n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50292441
PNG
(1beta-hydroxyaleuritolic acid 3-p-hydroxybenzoate ...)
Show SMILES CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1)OC(=O)c1ccc(O)cc1)C(O)=O |r,t:7|
Show InChI InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,26-,27+,28+,29-,34-,35+,36-,37+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
BindingDB Entry DOI: 10.7270/Q2639PR2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346859
PNG
(CHEMBL1797184)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CCO[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)CN2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:55|
Show InChI InChI=1S/C43H50N4O5/c1-49-30-9-5-7-28-32(30)47-24-39(20-25-21-40-13-18-51-31(40)10-15-45-16-12-43(28,34(25)47)36(40)45)23-46-17-11-42-27-6-3-4-8-29(27)44-33(42)26(35(48)50-2)22-41(37(42)46)14-19-52-38(39)41/h3-9,25-26,31,34,36-38H,10-24H2,1-2H3/t25-,26?,31+,34+,36+,37+,38+,39+,40-,41+,42+,43+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50250356
PNG
((+)-protolichesterinic acid | CHEMBL490329 | proto...)
Show SMILES CCCCCCCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
BindingDB Entry DOI: 10.7270/Q2639PR2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM10404
PNG
((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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346858
PNG
(CHEMBL1797183)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CC(=O)O[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)[C@@H](O)N2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:57|
Show InChI InChI=1S/C43H48N4O7/c1-51-28-9-5-7-26-31(28)47-22-41(19-23-18-40-21-30(48)54-29(40)10-14-45-15-11-43(26,33(23)47)35(40)45)37-39(13-17-53-37)20-24(34(49)52-2)32-42(12-16-46(36(39)42)38(41)50)25-6-3-4-8-27(25)44-32/h3-9,23-24,29,33,35-38,50H,10-22H2,1-2H3/t23-,24?,29-,33-,35-,36-,37+,38+,39-,40-,41-,42-,43-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.64E+4n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346861
PNG
(CHEMBL1079129)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CC(=O)C[C@H]5CCN5CC[C@]7([C@H]65)c5cccc(OC)c5N(C2)[C@@]47O)CN2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:57|
Show InChI InChI=1S/C44H50N4O6/c1-52-32-9-5-7-30-33(32)48-24-39(19-26-20-41-21-27(49)18-25(41)10-14-46-16-12-43(30,37(41)46)44(26,48)51)23-47-15-11-42-29-6-3-4-8-31(29)45-34(42)28(35(50)53-2)22-40(36(42)47)13-17-54-38(39)40/h3-9,25-26,28,36-38,51H,10-24H2,1-2H3/t25-,26-,28?,36+,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
BindingDB Entry DOI: 10.7270/Q2639PR2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346860
PNG
(CHEMBL1797185)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CC(=O)O[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)CN2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:56|
Show InChI InChI=1S/C43H48N4O6/c1-50-29-9-5-7-27-32(29)47-23-39(18-24-19-41-21-31(48)53-30(41)10-14-45-15-12-43(27,34(24)47)37(41)45)22-46-16-11-42-26-6-3-4-8-28(26)44-33(42)25(35(49)51-2)20-40(36(42)46)13-17-52-38(39)40/h3-9,24-25,30,34,36-38H,10-23H2,1-2H3/t24-,25?,30+,34+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.02E+4n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50412092
PNG
(SWERTIFRANCHESIDE)
Show SMILES COc1cc(O)c2c(c1)oc1c(O)cc(c(O)c1c2=O)-c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1 |r,wU:24.26,26.29,31.34,wD:29.32,33.37,(-10.05,.93,;-10.05,-.61,;-8.72,-1.38,;-8.72,-2.93,;-7.38,-3.7,;-7.38,-5.24,;-6.05,-2.93,;-6.05,-1.38,;-7.39,-.61,;-4.72,-.6,;-3.38,-1.38,;-2.05,-.61,;-2.06,.93,;-.72,-1.38,;-.72,-2.92,;-2.05,-3.69,;-2.05,-5.23,;-3.38,-2.92,;-4.72,-3.7,;-4.72,-5.24,;.62,-3.69,;.61,-5.23,;-.72,-6,;1.94,-6,;1.94,-7.53,;.6,-8.3,;.6,-9.84,;-.74,-10.6,;-2.07,-9.83,;1.93,-10.61,;1.93,-12.15,;3.27,-9.84,;4.6,-10.62,;3.28,-8.3,;4.61,-7.53,;3.28,-5.23,;4.62,-5.99,;3.26,-3.68,;1.94,-2.92,;1.93,-1.39,;3.26,-.63,;4.58,-1.39,;4.58,-2.92,;5.91,-3.69,;3.26,.9,;4.59,1.67,;4.59,3.21,;3.26,3.98,;3.26,5.52,;1.92,3.21,;.58,3.97,;1.93,1.67,)|
Show InChI InChI=1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.77E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
BindingDB Entry DOI: 10.7270/Q2639PR2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50346859
PNG
(CHEMBL1797184)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CCO[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)CN2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:55|
Show InChI InChI=1S/C43H50N4O5/c1-49-30-9-5-7-28-32(30)47-24-39(20-25-21-40-13-18-51-31(40)10-15-45-16-12-43(28,34(25)47)36(40)45)23-46-17-11-42-27-6-3-4-8-29(27)44-33(42)26(35(48)50-2)22-41(37(42)46)14-19-52-38(39)41/h3-9,25-26,31,34,36-38H,10-24H2,1-2H3/t25-,26?,31+,34+,36+,37+,38+,39+,40-,41+,42+,43+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50346861
PNG
(CHEMBL1079129)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CC(=O)C[C@H]5CCN5CC[C@]7([C@H]65)c5cccc(OC)c5N(C2)[C@@]47O)CN2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:57|
Show InChI InChI=1S/C44H50N4O6/c1-52-32-9-5-7-30-33(32)48-24-39(19-26-20-41-21-27(49)18-25(41)10-14-46-16-12-43(30,37(41)46)44(26,48)51)23-47-15-11-42-29-6-3-4-8-31(29)45-34(42)28(35(50)53-2)22-40(36(42)47)13-17-54-38(39)40/h3-9,25-26,28,36-38,51H,10-24H2,1-2H3/t25-,26-,28?,36+,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50346860
PNG
(CHEMBL1797185)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CC(=O)O[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)CN2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:56|
Show InChI InChI=1S/C43H48N4O6/c1-50-29-9-5-7-27-32(29)47-23-39(18-24-19-41-21-31(48)53-30(41)10-14-45-15-12-43(27,34(24)47)37(41)45)22-46-16-11-42-26-6-3-4-8-28(26)44-33(42)25(35(49)51-2)20-40(36(42)46)13-17-52-38(39)40/h3-9,24-25,30,34,36-38H,10-23H2,1-2H3/t24-,25?,30+,34+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10E+4n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50346858
PNG
(CHEMBL1797183)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CC(=O)O[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)[C@@H](O)N2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:57|
Show InChI InChI=1S/C43H48N4O7/c1-51-28-9-5-7-26-31(28)47-22-41(19-23-18-40-21-30(48)54-29(40)10-14-45-15-11-43(26,33(23)47)35(40)45)37-39(13-17-53-37)20-24(34(49)52-2)32-42(12-16-46(36(39)42)38(41)50)25-6-3-4-8-27(25)44-32/h3-9,23-24,29,33,35-38,50H,10-22H2,1-2H3/t23-,24?,29-,33-,35-,36-,37+,38+,39-,40-,41-,42-,43-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40E+4n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by colorimetric Ellman's assay


Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair