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PubMed code 24657052

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
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
Cholinesterase


(Equus caballus (Horse))		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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n/an/a 3.30n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 33n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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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n/an/a 65n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002842
PNG
(CHEMBL3233934)
Show SMILES COc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1OC
Show InChI InChI=1S/C25H29N3O5/c1-32-20-12-18-19(13-21(20)33-2)27-25(31)22(23(18)29)24(30)26-14-16-8-10-28(11-9-16)15-17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,26,30)(H2,27,29,31)
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n/an/a 110n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50002842
PNG
(CHEMBL3233934)
Show SMILES COc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1OC
Show InChI InChI=1S/C25H29N3O5/c1-32-20-12-18-19(13-21(20)33-2)27-25(31)22(23(18)29)24(30)26-14-16-8-10-28(11-9-16)15-17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,26,30)(H2,27,29,31)
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n/an/a 230n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challeng...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002846
PNG
(CHEMBL3233938)
Show SMILES COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1OC
Show InChI InChI=1S/C32H35N3O5/c1-39-27-17-25-26(18-28(27)40-2)35(21-24-11-7-4-8-12-24)32(38)29(30(25)36)31(37)33-19-22-13-15-34(16-14-22)20-23-9-5-3-6-10-23/h3-12,17-18,22,36H,13-16,19-21H2,1-2H3,(H,33,37)
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n/an/a 270n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002848
PNG
(CHEMBL3233940)
Show SMILES COc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(OC)c1O
Show InChI InChI=1S/C32H35N3O6/c1-40-26-16-23(17-27(41-2)30(26)37)20-35-25-11-7-6-10-24(25)29(36)28(32(35)39)31(38)33-18-21-12-14-34(15-13-21)19-22-8-4-3-5-9-22/h3-11,16-17,21,36-37H,12-15,18-20H2,1-2H3,(H,33,38)
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n/an/a 330n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002853
PNG
(CHEMBL3233927)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C24H27N3O3/c1-26-20-10-6-5-9-19(20)22(28)21(24(26)30)23(29)25-15-17-11-13-27(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,28H,11-16H2,1H3,(H,25,29)
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n/an/a 370n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002841
PNG
(CHEMBL3233933)
Show SMILES Cn1c2ccccc2c(N)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C24H28N4O2/c1-27-20-10-6-5-9-19(20)22(25)21(24(27)30)23(29)26-15-17-11-13-28(14-12-17)16-18-7-3-2-4-8-18/h2-10,17H,11-16,25H2,1H3,(H,26,29)
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n/an/a 380n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002854
PNG
(CHEMBL3233928)
Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H29N3O3/c33-27-24-13-7-8-14-25(24)32(20-22-11-5-2-6-12-22)29(35)26(27)28(34)30-23-15-17-31(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,33H,15-20H2,(H,30,34)
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n/an/a 390n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002839
PNG
(CHEMBL3233931)
Show SMILES Cc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-17-20-9-5-6-10-21(20)26-24(29)22(17)23(28)25-15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3,(H,25,28)(H,26,29)
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n/an/a 470n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002843
PNG
(CHEMBL3233935)
Show SMILES Oc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1O
Show InChI InChI=1S/C23H25N3O5/c27-18-10-16-17(11-19(18)28)25-23(31)20(21(16)29)22(30)24-12-14-6-8-26(9-7-14)13-15-4-2-1-3-5-15/h1-5,10-11,14,27-28H,6-9,12-13H2,(H,24,30)(H2,25,29,31)
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n/an/a 480n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002855
PNG
(CHEMBL3233929)
Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C30H31N3O3/c34-28-25-13-7-8-14-26(25)33(21-24-11-5-2-6-12-24)30(36)27(28)29(35)31-19-22-15-17-32(18-16-22)20-23-9-3-1-4-10-23/h1-14,22,34H,15-21H2,(H,31,35)
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n/an/a 490n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002848
PNG
(CHEMBL3233940)
Show SMILES COc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(OC)c1O
Show InChI InChI=1S/C32H35N3O6/c1-40-26-16-23(17-27(41-2)30(26)37)20-35-25-11-7-6-10-24(25)29(36)28(32(35)39)31(38)33-18-21-12-14-34(15-13-21)19-22-8-4-3-5-9-22/h3-11,16-17,21,36-37H,12-15,18-20H2,1-2H3,(H,33,38)
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n/an/a 560n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50002843
PNG
(CHEMBL3233935)
Show SMILES Oc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1O
Show InChI InChI=1S/C23H25N3O5/c27-18-10-16-17(11-19(18)28)25-23(31)20(21(16)29)22(30)24-12-14-6-8-26(9-7-14)13-15-4-2-1-3-5-15/h1-5,10-11,14,27-28H,6-9,12-13H2,(H,24,30)(H2,25,29,31)
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n/an/a 980n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challeng...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002841
PNG
(CHEMBL3233933)
Show SMILES Cn1c2ccccc2c(N)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C24H28N4O2/c1-27-20-10-6-5-9-19(20)22(25)21(24(27)30)23(29)26-15-17-11-13-28(14-12-17)16-18-7-3-2-4-8-18/h2-10,17H,11-16,25H2,1H3,(H,26,29)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002851
PNG
(CHEMBL3233664)
Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O3/c27-21-18-8-4-5-9-19(18)25-23(29)20(21)22(28)24-14-16-10-12-26(13-11-16)15-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,28)(H2,25,27,29)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002852
PNG
(CHEMBL3233926)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)21(27)20(23(25)29)22(28)24-17-11-13-26(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,27H,11-15H2,1H3,(H,24,28)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 1.82E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002845
PNG
(CHEMBL3233937)
Show SMILES Cn1c2cc(O)c(O)cc2c(O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C24H27N3O5/c1-26-18-12-20(29)19(28)11-17(18)22(30)21(24(26)32)23(31)25-13-15-7-9-27(10-8-15)14-16-5-3-2-4-6-16/h2-6,11-12,15,28-30H,7-10,13-14H2,1H3,(H,25,31)
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n/an/a 2.02E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002850
PNG
(CHEMBL3233663)
Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H23N3O3/c26-20-17-8-4-5-9-18(17)24-22(28)19(20)21(27)23-16-10-12-25(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,27)(H2,24,26,28)
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n/an/a 2.27E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002837
PNG
(CHEMBL3233930)
Show SMILES Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c1-16-19-9-5-6-10-20(19)25-23(28)21(16)22(27)24-18-11-13-26(14-12-18)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3,(H,24,27)(H,25,28)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002844
PNG
(CHEMBL3233936)
Show SMILES Cl.COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(C)c2cc1OC
Show InChI InChI=1S/C26H31N3O5.ClH/c1-28-20-14-22(34-3)21(33-2)13-19(20)24(30)23(26(28)32)25(31)27-15-17-9-11-29(12-10-17)16-18-7-5-4-6-8-18;/h4-8,13-14,17,30H,9-12,15-16H2,1-3H3,(H,27,31);1H
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n/an/a 2.93E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002849
PNG
(CHEMBL3233941)
Show SMILES Oc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(O)c1O
Show InChI InChI=1S/C30H31N3O6/c34-24-14-21(15-25(35)28(24)37)18-33-23-9-5-4-8-22(23)27(36)26(30(33)39)29(38)31-16-19-10-12-32(13-11-19)17-20-6-2-1-3-7-20/h1-9,14-15,19,34-37H,10-13,16-18H2,(H,31,38)
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n/an/a 3.89E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002853
PNG
(CHEMBL3233927)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C24H27N3O3/c1-26-20-10-6-5-9-19(20)22(28)21(24(26)30)23(29)25-15-17-11-13-27(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,28H,11-16H2,1H3,(H,25,29)
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n/an/a 4.26E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002851
PNG
(CHEMBL3233664)
Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O3/c27-21-18-8-4-5-9-19(18)25-23(29)20(21)22(28)24-14-16-10-12-26(13-11-16)15-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,28)(H2,25,27,29)
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n/an/a 6.02E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002854
PNG
(CHEMBL3233928)
Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H29N3O3/c33-27-24-13-7-8-14-25(24)32(20-22-11-5-2-6-12-22)29(35)26(27)28(34)30-23-15-17-31(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,33H,15-20H2,(H,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002840
PNG
(CHEMBL3233932)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C28H27N3O2/c32-27(29-22-15-17-31(18-16-22)19-20-9-3-1-4-10-20)26-25(21-11-5-2-6-12-21)23-13-7-8-14-24(23)30-28(26)33/h1-14,22H,15-19H2,(H,29,32)(H,30,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002844
PNG
(CHEMBL3233936)
Show SMILES Cl.COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(C)c2cc1OC
Show InChI InChI=1S/C26H31N3O5.ClH/c1-28-20-14-22(34-3)21(33-2)13-19(20)24(30)23(26(28)32)25(31)27-15-17-9-11-29(12-10-17)16-18-7-5-4-6-8-18;/h4-8,13-14,17,30H,9-12,15-16H2,1-3H3,(H,27,31);1H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50002847
PNG
(CHEMBL3233939)
Show SMILES Cl.Oc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1O
Show InChI InChI=1S/C30H31N3O5.ClH/c34-25-15-23-24(16-26(25)35)33(19-22-9-5-2-6-10-22)30(38)27(28(23)36)29(37)31-17-20-11-13-32(14-12-20)18-21-7-3-1-4-8-21;/h1-10,15-16,20,34-36H,11-14,17-19H2,(H,31,37);1H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002850
PNG
(CHEMBL3233663)
Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H23N3O3/c26-20-17-8-4-5-9-18(17)24-22(28)19(20)21(27)23-16-10-12-25(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,27)(H2,24,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002840
PNG
(CHEMBL3233932)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C28H27N3O2/c32-27(29-22-15-17-31(18-16-22)19-20-9-3-1-4-10-20)26-25(21-11-5-2-6-12-21)23-13-7-8-14-24(23)30-28(26)33/h1-14,22H,15-19H2,(H,29,32)(H,30,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002839
PNG
(CHEMBL3233931)
Show SMILES Cc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-17-20-9-5-6-10-21(20)26-24(29)22(17)23(28)25-15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3,(H,25,28)(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002837
PNG
(CHEMBL3233930)
Show SMILES Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c1-16-19-9-5-6-10-20(19)25-23(28)21(16)22(27)24-18-11-13-26(14-12-18)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3,(H,24,27)(H,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002847
PNG
(CHEMBL3233939)
Show SMILES Cl.Oc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1O
Show InChI InChI=1S/C30H31N3O5.ClH/c34-25-15-23-24(16-26(25)35)33(19-22-9-5-2-6-10-22)30(38)27(28(23)36)29(37)31-17-20-11-13-32(14-12-20)18-21-7-3-1-4-8-21;/h1-10,15-16,20,34-36H,11-14,17-19H2,(H,31,37);1H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002855
PNG
(CHEMBL3233929)
Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C30H31N3O3/c34-28-25-13-7-8-14-26(25)33(21-24-11-5-2-6-12-24)30(36)27(28)29(35)31-19-22-15-17-32(18-16-22)20-23-9-3-1-4-10-23/h1-14,22,34H,15-21H2,(H,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002852
PNG
(CHEMBL3233926)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)21(27)20(23(25)29)22(28)24-17-11-13-26(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,27H,11-15H2,1H3,(H,24,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002849
PNG
(CHEMBL3233941)
Show SMILES Oc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(O)c1O
Show InChI InChI=1S/C30H31N3O6/c34-24-14-21(15-25(35)28(24)37)18-33-23-9-5-4-8-22(23)27(36)26(30(33)39)29(38)31-16-19-10-12-32(13-11-19)17-20-6-2-1-3-7-20/h1-9,14-15,19,34-37H,10-13,16-18H2,(H,31,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002843
PNG
(CHEMBL3233935)
Show SMILES Oc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1O
Show InChI InChI=1S/C23H25N3O5/c27-18-10-16-17(11-19(18)28)25-23(31)20(21(16)29)22(30)24-12-14-6-8-26(9-7-14)13-15-4-2-1-3-5-15/h1-5,10-11,14,27-28H,6-9,12-13H2,(H,24,30)(H2,25,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002845
PNG
(CHEMBL3233937)
Show SMILES Cn1c2cc(O)c(O)cc2c(O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C24H27N3O5/c1-26-18-12-20(29)19(28)11-17(18)22(30)21(24(26)32)23(31)25-13-15-7-9-27(10-8-15)14-16-5-3-2-4-6-16/h2-6,11-12,15,28-30H,7-10,13-14H2,1H3,(H,25,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002846
PNG
(CHEMBL3233938)
Show SMILES COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1OC
Show InChI InChI=1S/C32H35N3O5/c1-39-27-17-25-26(18-28(27)40-2)35(21-24-11-7-4-8-12-24)32(38)29(30(25)36)31(37)33-19-22-13-15-34(16-14-22)20-23-9-5-3-6-10-23/h3-12,17-18,22,36H,13-16,19-21H2,1-2H3,(H,33,37)
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n/an/a>6.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50002842
PNG
(CHEMBL3233934)
Show SMILES COc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1OC
Show InChI InChI=1S/C25H29N3O5/c1-32-20-12-18-19(13-21(20)33-2)27-25(31)22(23(18)29)24(30)26-14-16-8-10-28(11-9-16)15-17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,26,30)(H2,27,29,31)
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n/an/a>6.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...

Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%