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Compile Data Set for Download or QSAR

Found 325 hits from Central China Normal University   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (human))
BDBM50394447
PNG
(CHEMBL2159662)
Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H28N2O3/c1-22(32)26-12-4-5-13-27(26)30-29(33)24-15-17-25(18-16-24)34-21-8-2-7-19-31-20-9-11-23-10-3-6-14-28(23)31/h3-6,9-18,20H,2,7-8,19,21H2,1H3/p+1
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6.5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate


Bioorg Med Chem 20: 6739-50 (2012)


Article DOI: 10.1016/j.bmc.2012.09.016
BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056112
PNG
(CHEMBL3326702)
Show SMILES COc1cc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC
Show InChI InChI=1S/C30H33N3O5/c1-36-26-17-19-16-22(30(35)38-25(19)18-27(26)37-2)29(34)32-15-9-3-8-14-31-28-20-10-4-6-12-23(20)33-24-13-7-5-11-21(24)28/h4,6,10,12,16-18H,3,5,7-9,11,13-15H2,1-2H3,(H,31,33)(H,32,34)
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8.10n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414826
PNG
(CHEMBL575443)
Show SMILES CCC(N1C(=O)COc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O)C(=O)OC
Show InChI InChI=1S/C21H21FN2O6/c1-3-14(21(28)29-2)23-16-9-15(13(22)8-17(16)30-10-18(23)25)24-19(26)11-6-4-5-7-12(11)20(24)27/h8-9,14H,3-7,10H2,1-2H3
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8.13n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)


Article DOI: 10.1016/j.bmc.2009.06.003
BindingDB Entry DOI: 10.7270/Q2QR4ZCR
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414833
PNG
(CHEMBL573409)
Show SMILES Fc1cccc(Cl)c1C(=O)NC(=O)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
Show InChI InChI=1S/C22H15Cl2F2N3O4/c23-12-6-3-7-14(25)18(12)19(30)28-22(33)27-16-9-17(15(26)8-13(16)24)29-20(31)10-4-1-2-5-11(10)21(29)32/h3,6-9H,1-2,4-5H2,(H2,27,28,30,33)
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8.32n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)


Article DOI: 10.1016/j.bmc.2009.06.003
BindingDB Entry DOI: 10.7270/Q2QR4ZCR
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
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)
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8.70n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
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)
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8.70n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using acetylthiocholine as substrate


Bioorg Med Chem 20: 6739-50 (2012)


Article DOI: 10.1016/j.bmc.2012.09.016
BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM50394448
PNG
(CHEMBL2159661)
Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C30H30N2O3/c1-23(33)28-12-6-7-13-29(28)31-30(34)25-14-16-27(17-15-25)35-21-9-3-2-8-19-32-20-18-24-10-4-5-11-26(24)22-32/h4-7,10-18,20,22H,2-3,8-9,19,21H2,1H3/p+1
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9.40n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate


Bioorg Med Chem 20: 6739-50 (2012)


Article DOI: 10.1016/j.bmc.2012.09.016
BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024721
PNG
(CHEMBL3342603)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1cccc(Cl)c1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15ClN4O3/c1-11-23-17-7-6-12(18(26)16-10-22-24(2)19(16)27)8-15(17)20(28)25(11)14-5-3-4-13(21)9-14/h3-10,27H,1-2H3
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10n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024752
PNG
(CHEMBL3343183)
Show SMILES Cc1ccc(c(Br)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C21H17BrN4O3/c1-11-4-7-18(16(22)8-11)26-12(2)24-17-6-5-13(9-14(17)21(26)29)19(27)15-10-23-25(3)20(15)28/h4-10,28H,1-3H3
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11n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Succinate dehydrogenase cytochrome b560 subunit, mitochondrial


(Sus scrofa)
BDBM50079610
PNG
(CHEMBL3417782)
Show SMILES Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(OC(F)(F)F)cc4)nc3c2)c(n1)C(F)F
Show InChI InChI=1S/C21H15F5N4O3S/c1-30-9-14(17(29-30)18(22)23)19(31)27-12-4-7-16-15(8-12)28-20(32-16)34-10-11-2-5-13(6-3-11)33-21(24,25)26/h2-9,18H,10H2,1H3,(H,27,31)
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11n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of porcine heart SQR in SCR complex with respect to DCIP substrate at 23 degC by double-reciprocal plot


Eur J Med Chem 95: 424-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.060
BindingDB Entry DOI: 10.7270/Q27946D8
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414834
PNG
(CHEMBL573884)
Show SMILES Fc1cc(Cl)c(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H15Cl3FN3O4/c23-12-6-3-7-13(24)18(12)19(30)28-22(33)27-16-9-17(15(26)8-14(16)25)29-20(31)10-4-1-2-5-11(10)21(29)32/h3,6-9H,1-2,4-5H2,(H2,27,28,30,33)
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12.9n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)


Article DOI: 10.1016/j.bmc.2009.06.003
BindingDB Entry DOI: 10.7270/Q2QR4ZCR
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024719
PNG
(CHEMBL3342605)
Show SMILES Cc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C21H18N4O3/c1-12-5-4-6-15(9-12)25-13(2)23-18-8-7-14(10-16(18)21(25)28)19(26)17-11-22-24(3)20(17)27/h4-11,27H,1-3H3
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13n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024720
PNG
(CHEMBL3342604)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1cccc(Br)c1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15BrN4O3/c1-11-23-17-7-6-12(18(26)16-10-22-24(2)19(16)27)8-15(17)20(28)25(11)14-5-3-4-13(21)9-14/h3-10,27H,1-2H3
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14n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024727
PNG
(CHEMBL3342432)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccccc1F)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15FN4O3/c1-11-23-16-8-7-12(18(26)14-10-22-24(2)19(14)27)9-13(16)20(28)25(11)17-6-4-3-5-15(17)21/h3-10,27H,1-2H3
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15n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056107
PNG
(CHEMBL3326704)
Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C29H31N3O3/c33-28(23-19-20-11-3-8-16-26(20)35-29(23)34)31-18-10-2-1-9-17-30-27-21-12-4-6-14-24(21)32-25-15-7-5-13-22(25)27/h3-4,6,8,11-12,14,16,19H,1-2,5,7,9-10,13,15,17-18H2,(H,30,32)(H,31,33)
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16n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50056107
PNG
(CHEMBL3326704)
Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C29H31N3O3/c33-28(23-19-20-11-3-8-16-26(20)35-29(23)34)31-18-10-2-1-9-17-30-27-21-12-4-6-14-24(21)32-25-15-7-5-13-22(25)27/h3-4,6,8,11-12,14,16,19H,1-2,5,7,9-10,13,15,17-18H2,(H,30,32)(H,31,33)
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17n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024758
PNG
(CHEMBL3342610)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccc(Br)cc1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15BrN4O3/c1-11-23-17-8-3-12(18(26)16-10-22-24(2)19(16)27)9-15(17)20(28)25(11)14-6-4-13(21)5-7-14/h3-10,27H,1-2H3
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18n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056109
PNG
(CHEMBL3326709)
Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H30F3N3O4/c31-30(32,33)40-20-13-14-26-19(17-20)18-23(29(38)39-26)28(37)35-16-8-2-1-7-15-34-27-21-9-3-5-11-24(21)36-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,1-2,4,6-8,10,12,15-16H2,(H,34,36)(H,35,37)
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18n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024728
PNG
(CHEMBL3342431)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccccc1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H16N4O3/c1-12-22-17-9-8-13(18(25)16-11-21-23(2)19(16)26)10-15(17)20(27)24(12)14-6-4-3-5-7-14/h3-11,26H,1-2H3
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19n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056122
PNG
(CHEMBL3326705)
Show SMILES COc1ccc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C30H33N3O4/c1-36-21-15-14-20-18-24(30(35)37-27(20)19-21)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
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20n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024722
PNG
(CHEMBL3342602)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1cccc(F)c1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15FN4O3/c1-11-23-17-7-6-12(18(26)16-10-22-24(2)19(16)27)8-15(17)20(28)25(11)14-5-3-4-13(21)9-14/h3-10,27H,1-2H3
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20n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056119
PNG
(CHEMBL3326710)
Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C30H33N3O3/c34-29(24-20-21-12-4-9-17-27(21)36-30(24)35)32-19-11-3-1-2-10-18-31-28-22-13-5-7-15-25(22)33-26-16-8-6-14-23(26)28/h4-5,7,9,12-13,15,17,20H,1-3,6,8,10-11,14,16,18-19H2,(H,31,33)(H,32,34)
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20n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024759
PNG
(CHEMBL3342609)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)cc1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15ClN4O3/c1-11-23-17-8-3-12(18(26)16-10-22-24(2)19(16)27)9-15(17)20(28)25(11)14-6-4-13(21)5-7-14/h3-10,27H,1-2H3
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22n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024726
PNG
(CHEMBL3342598)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccccc1Cl)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15ClN4O3/c1-11-23-16-8-7-12(18(26)14-10-22-24(2)19(14)27)9-13(16)20(28)25(11)17-6-4-3-5-15(17)21/h3-10,27H,1-2H3
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22n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056108
PNG
(CHEMBL3326707)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
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23n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056121
PNG
(CHEMBL3326706)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N3O4/c1-36-21-14-15-27-20(18-21)19-24(30(35)37-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
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24n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50056121
PNG
(CHEMBL3326706)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N3O4/c1-36-21-14-15-27-20(18-21)19-24(30(35)37-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
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24n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024725
PNG
(CHEMBL3342599)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccccc1Br)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15BrN4O3/c1-11-23-16-8-7-12(18(26)14-10-22-24(2)19(14)27)9-13(16)20(28)25(11)17-6-4-3-5-15(17)21/h3-10,27H,1-2H3
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24n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024751
PNG
(CHEMBL3343184)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)c(Cl)c1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H14Cl2N4O3/c1-10-24-17-6-3-11(18(27)14-9-23-25(2)19(14)28)7-13(17)20(29)26(10)12-4-5-15(21)16(22)8-12/h3-9,28H,1-2H3
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25n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024757
PNG
(CHEMBL3342611)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C21H18N4O3/c1-12-4-7-15(8-5-12)25-13(2)23-18-9-6-14(10-16(18)21(25)28)19(26)17-11-22-24(3)20(17)27/h4-11,27H,1-3H3
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25n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414827
PNG
(CHEMBL576959)
Show SMILES Fc1cc(Cl)c(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H16ClF4N3O3/c23-15-9-16(24)18(30-19(31)13-6-1-2-7-14(13)20(30)32)10-17(15)29-21(33)28-12-5-3-4-11(8-12)22(25,26)27/h3-5,8-10H,1-2,6-7H2,(H2,28,29,33)
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25.1n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)


Article DOI: 10.1016/j.bmc.2009.06.003
BindingDB Entry DOI: 10.7270/Q2QR4ZCR
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414837
PNG
(CHEMBL576356)
Show SMILES Fc1cc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H15Cl3FN3O4/c23-10-5-6-13(14(24)7-10)19(30)28-22(33)27-17-9-18(16(26)8-15(17)25)29-20(31)11-3-1-2-4-12(11)21(29)32/h5-9H,1-4H2,(H2,27,28,30,33)
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26.9n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)


Article DOI: 10.1016/j.bmc.2009.06.003
BindingDB Entry DOI: 10.7270/Q2QR4ZCR
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414828
PNG
(CHEMBL573881)
Show SMILES Fc1cc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C21H16Cl2FN3O3/c22-11-5-7-12(8-6-11)25-21(30)26-17-10-18(16(24)9-15(17)23)27-19(28)13-3-1-2-4-14(13)20(27)29/h5-10H,1-4H2,(H2,25,26,30)
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28.2n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)


Article DOI: 10.1016/j.bmc.2009.06.003
BindingDB Entry DOI: 10.7270/Q2QR4ZCR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50056108
PNG
(CHEMBL3326707)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
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30n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056115
PNG
(CHEMBL3326699)
Show SMILES COc1ccc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C29H31N3O4/c1-35-20-14-13-19-17-23(29(34)36-26(19)18-20)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)
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30n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056120
PNG
(CHEMBL3326708)
Show SMILES COc1cc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC
Show InChI InChI=1S/C31H35N3O5/c1-37-27-18-20-17-23(31(36)39-26(20)19-28(27)38-2)30(35)33-16-10-4-3-9-15-32-29-21-11-5-7-13-24(21)34-25-14-8-6-12-22(25)29/h5,7,11,13,17-19H,3-4,6,8-10,12,14-16H2,1-2H3,(H,32,34)(H,33,35)
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31n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50056122
PNG
(CHEMBL3326705)
Show SMILES COc1ccc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C30H33N3O4/c1-36-21-15-14-20-18-24(30(35)37-27(20)19-21)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
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31n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024716
PNG
(CHEMBL3342607)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1cccc(OC(F)(F)F)c1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C21H15F3N4O4/c1-11-26-17-7-6-12(18(29)16-10-25-27(2)19(16)30)8-15(17)20(31)28(11)13-4-3-5-14(9-13)32-21(22,23)24/h3-10,30H,1-2H3
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31n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
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)
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32n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate


Bioorg Med Chem 20: 6739-50 (2012)


Article DOI: 10.1016/j.bmc.2012.09.016
BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056106
PNG
(CHEMBL3326698)
Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H29N3O3/c32-27(22-18-19-10-2-7-15-25(19)34-28(22)33)30-17-9-1-8-16-29-26-20-11-3-5-13-23(20)31-24-14-6-4-12-21(24)26/h2-3,5,7,10-11,13,15,18H,1,4,6,8-9,12,14,16-17H2,(H,29,31)(H,30,32)
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32n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056113
PNG
(CHEMBL3326701)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H31N3O3/c1-19-13-14-26-20(17-19)18-23(29(34)35-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)
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32n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024754
PNG
(CHEMBL3342614)
Show SMILES Cc1cc(Cl)ccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C21H17ClN4O3/c1-11-8-14(22)5-7-18(11)26-12(2)24-17-6-4-13(9-15(17)21(26)29)19(27)16-10-23-25(3)20(16)28/h4-10,28H,1-3H3
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32n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056123
PNG
(CHEMBL3326703)
Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H28F3N3O4/c30-29(31,32)39-19-12-13-25-18(16-19)17-22(28(37)38-25)27(36)34-15-7-1-6-14-33-26-20-8-2-4-10-23(20)35-24-11-5-3-9-21(24)26/h2,4,8,10,12-13,16-17H,1,3,5-7,9,11,14-15H2,(H,33,35)(H,34,36)
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33n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414836
PNG
(CHEMBL573877)
Show SMILES Fc1cc(Cl)c(NC(=O)NC(=O)c2cccc(OC(F)(F)F)c2)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C23H16ClF4N3O5/c24-15-9-16(25)18(31-20(33)13-6-1-2-7-14(13)21(31)34)10-17(15)29-22(35)30-19(32)11-4-3-5-12(8-11)36-23(26,27)28/h3-5,8-10H,1-2,6-7H2,(H2,29,30,32,35)
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33.9n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)


Article DOI: 10.1016/j.bmc.2009.06.003
BindingDB Entry DOI: 10.7270/Q2QR4ZCR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50056106
PNG
(CHEMBL3326698)
Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H29N3O3/c32-27(22-18-19-10-2-7-15-25(19)34-28(22)33)30-17-9-1-8-16-29-26-20-11-3-5-13-23(20)31-24-14-6-4-12-21(24)26/h2-3,5,7,10-11,13,15,18H,1,4,6,8-9,12,14,16-17H2,(H,29,31)(H,30,32)
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34n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056114
PNG
(CHEMBL3326700)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H31N3O4/c1-35-20-13-14-26-19(17-20)18-23(29(34)36-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)
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34n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024760
PNG
(CHEMBL3342608)
Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccc(F)cc1)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C20H15FN4O3/c1-11-23-17-8-3-12(18(26)16-10-22-24(2)19(16)27)9-15(17)20(28)25(11)14-6-4-13(21)5-7-14/h3-10,27H,1-2H3
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34n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens)
BDBM50024718
PNG
(CHEMBL3342606)
Show SMILES COc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C21H18N4O4/c1-12-23-18-8-7-13(19(26)17-11-22-24(2)20(17)27)9-16(18)21(28)25(12)14-5-4-6-15(10-14)29-3/h4-11,27H,1-3H3
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34n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056110
PNG
(CHEMBL3327246)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H35N3O4/c1-37-22-15-16-28-21(19-22)20-25(31(36)38-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)
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35n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50056118
PNG
(CHEMBL3326711)
Show SMILES COc1ccc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C31H35N3O4/c1-37-22-16-15-21-19-25(31(36)38-28(21)20-22)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)
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35n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BChE assessed as acetylthiocholine hydrolysis


Bioorg Med Chem 22: 4784-91 (2014)


Article DOI: 10.1016/j.bmc.2014.06.057
BindingDB Entry DOI: 10.7270/Q27M09KB
More data for this
Ligand-Target Pair
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