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PubMed code 11708910

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
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10959
PNG
((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)Nc3ccccc3C)ccc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 10n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10961
PNG
((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)Nc3ccccc3CC)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-5-15-8-6-7-9-18(15)23-21(26)27-16-10-11-19-17(14-16)22(2)12-13-24(3)20(22)25(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 10n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10977
PNG
((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(C)cc3C)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-8-18(15(2)12-14)23-21(26)27-16-7-9-19-17(13-16)22(3)10-11-24(4)20(22)25(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 14n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10973
PNG
((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)Nc3ccccc3C(C)C)ccc1N2C |r|
Show InChI InChI=1S/C23H29N3O2/c1-15(2)17-8-6-7-9-19(17)24-22(27)28-16-10-11-20-18(14-16)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
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n/an/a 15n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10709
PNG
(1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
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n/an/a 16n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10958
PNG
((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)Nc3ccccc3)ccc1N2C |r|
Show InChI InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
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n/an/a 22n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10976
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3C)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-7-6-8-18(15(14)2)23-21(26)27-16-9-10-19-17(13-16)22(3)11-12-24(4)20(22)25(19)5/h6-10,13,20H,11-12H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 23n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10978
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cc(C)ccc3C)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-7-15(2)18(12-14)23-21(26)27-16-8-9-19-17(13-16)22(3)10-11-24(4)20(22)25(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 26n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10709
PNG
(1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
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n/an/a 28n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10974
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3)ccc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-14-6-5-7-15(12-14)22-20(25)26-16-8-9-18-17(13-16)21(2)10-11-23(3)19(21)24(18)4/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 28n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10981
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(C)c(C)c3)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-7-16(12-15(14)2)23-21(26)27-17-8-9-19-18(13-17)22(3)10-11-24(4)20(22)25(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 31n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10960
PNG
((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
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n/an/a 50n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10981
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(C)c(C)c3)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-7-16(12-15(14)2)23-21(26)27-17-8-9-19-18(13-17)22(3)10-11-24(4)20(22)25(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10982
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cc(C)cc(C)c3)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-10-15(2)12-16(11-14)23-21(26)27-17-6-7-19-18(13-17)22(3)8-9-24(4)20(22)25(19)5/h6-7,10-13,20H,8-9H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 78n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10975
PNG
((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(C)cc3)ccc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-14-5-7-15(8-6-14)22-20(25)26-16-9-10-18-17(13-16)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 140n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10974
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3)ccc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-14-6-5-7-15(12-14)22-20(25)26-16-8-9-18-17(13-16)21(2)10-11-23(3)19(21)24(18)4/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 165n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10976
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3C)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-7-6-8-18(15(14)2)23-21(26)27-16-9-10-19-17(13-16)22(3)11-12-24(4)20(22)25(19)5/h6-10,13,20H,11-12H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10984
PNG
((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)N(C)C)ccc1N2C |r|
Show InChI InChI=1S/C16H23N3O2/c1-16-8-9-18(4)14(16)19(5)13-7-6-11(10-12(13)16)21-15(20)17(2)3/h6-7,10,14H,8-9H2,1-5H3/t14-,16+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10975
PNG
((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(C)cc3)ccc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-14-5-7-15(8-6-14)22-20(25)26-16-9-10-18-17(13-16)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10987
PNG
((3aS,8aR)-1,3a,6,8-tetramethyl-1,2,3,3a,8,8a-hexah...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)c(C)cc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-14-12-17-16(21(2)10-11-23(3)19(21)24(17)4)13-18(14)26-20(25)22-15-8-6-5-7-9-15/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 260n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10979
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3c(C)cccc3C)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-7-6-8-15(2)19(14)23-21(26)27-16-9-10-18-17(13-16)22(3)11-12-24(4)20(22)25(18)5/h6-10,13,20H,11-12H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10984
PNG
((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)N(C)C)ccc1N2C |r|
Show InChI InChI=1S/C16H23N3O2/c1-16-8-9-18(4)14(16)19(5)13-7-6-11(10-12(13)16)21-15(20)17(2)3/h6-7,10,14H,8-9H2,1-5H3/t14-,16+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10978
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cc(C)ccc3C)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-7-15(2)18(12-14)23-21(26)27-16-8-9-19-17(13-16)22(3)10-11-24(4)20(22)25(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 490n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10973
PNG
((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)Nc3ccccc3C(C)C)ccc1N2C |r|
Show InChI InChI=1S/C23H29N3O2/c1-15(2)17-8-6-7-9-19(17)24-22(27)28-16-10-11-20-18(14-16)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
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n/an/a 650n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10985
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)N(C)c3ccccc3)ccc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-21-12-13-22(2)19(21)24(4)18-11-10-16(14-17(18)21)26-20(25)23(3)15-8-6-5-7-9-15/h5-11,14,19H,12-13H2,1-4H3/t19-,21+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10960
PNG
((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
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n/an/a 760n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10979
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3c(C)cccc3C)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-7-6-8-15(2)19(14)23-21(26)27-16-9-10-18-17(13-16)22(3)11-12-24(4)20(22)25(18)5/h6-10,13,20H,11-12H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 785n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10982
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cc(C)cc(C)c3)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-10-15(2)12-16(11-14)23-21(26)27-17-6-7-19-18(13-17)22(3)8-9-24(4)20(22)25(19)5/h6-7,10-13,20H,8-9H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 798n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10980
PNG
((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)Nc3c(CC)cccc3CC)ccc1N2C |r|
Show InChI InChI=1S/C24H31N3O2/c1-6-16-9-8-10-17(7-2)21(16)25-23(28)29-18-11-12-20-19(15-18)24(3)13-14-26(4)22(24)27(20)5/h8-12,15,22H,6-7,13-14H2,1-5H3,(H,25,28)/t22-,24+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10983
PNG
((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)Nc3c(C)cc(C)cc3C)ccc1N2C |r|
Show InChI InChI=1S/C23H29N3O2/c1-14-11-15(2)20(16(3)12-14)24-22(27)28-17-7-8-19-18(13-17)23(4)9-10-25(5)21(23)26(19)6/h7-8,11-13,21H,9-10H2,1-6H3,(H,24,27)/t21-,23+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10980
PNG
((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)Nc3c(CC)cccc3CC)ccc1N2C |r|
Show InChI InChI=1S/C24H31N3O2/c1-6-16-9-8-10-17(7-2)21(16)25-23(28)29-18-11-12-20-19(15-18)24(3)13-14-26(4)22(24)27(20)5/h8-12,15,22H,6-7,13-14H2,1-5H3,(H,25,28)/t22-,24+/m1/s1
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n/an/a 1.50E+3n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10958
PNG
((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)Nc3ccccc3)ccc1N2C |r|
Show InChI InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10977
PNG
((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(C)cc3C)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-8-18(15(2)12-14)23-21(26)27-16-7-9-19-17(13-16)22(3)10-11-24(4)20(22)25(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10959
PNG
((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)Nc3ccccc3C)ccc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10988
PNG
((3aS,8aR)-6-[(dimethylamino)methyl]-1,3a,8-trimeth...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)c(CN(C)C)cc1N2C |r|
Show InChI InChI=1S/C23H30N4O2/c1-23-11-12-26(4)21(23)27(5)19-13-16(15-25(2)3)20(14-18(19)23)29-22(28)24-17-9-7-6-8-10-17/h6-10,13-14,21H,11-12,15H2,1-5H3,(H,24,28)/t21-,23+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10961
PNG
((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)Nc3ccccc3CC)ccc1N2C |r|
Show InChI InChI=1S/C22H27N3O2/c1-5-15-8-6-7-9-18(15)23-21(26)27-16-10-11-19-17(14-16)22(2)12-13-24(3)20(22)25(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)/t20-,22+/m1/s1
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n/an/a 2.92E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10983
PNG
((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)Nc3c(C)cc(C)cc3C)ccc1N2C |r|
Show InChI InChI=1S/C23H29N3O2/c1-14-11-15(2)20(16(3)12-14)24-22(27)28-17-7-8-19-18(13-17)23(4)9-10-25(5)21(23)26(19)6/h7-8,11-13,21H,9-10H2,1-6H3,(H,24,27)/t21-,23+/m1/s1
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n/an/a 3.29E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10988
PNG
((3aS,8aR)-6-[(dimethylamino)methyl]-1,3a,8-trimeth...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)c(CN(C)C)cc1N2C |r|
Show InChI InChI=1S/C23H30N4O2/c1-23-11-12-26(4)21(23)27(5)19-13-16(15-25(2)3)20(14-18(19)23)29-22(28)24-17-9-7-6-8-10-17/h6-10,13-14,21H,11-12,15H2,1-5H3,(H,24,28)/t21-,23+/m1/s1
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n/an/a 3.89E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10987
PNG
((3aS,8aR)-1,3a,6,8-tetramethyl-1,2,3,3a,8,8a-hexah...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)c(C)cc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-14-12-17-16(21(2)10-11-23(3)19(21)24(17)4)13-18(14)26-20(25)22-15-8-6-5-7-9-15/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 5.02E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10986
PNG
((3aS,8aR)-1,3a,6,8-tetramethyl-1,2,3,3a,8,8a-hexah...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)c(C)cc1N2C |r|
Show InChI InChI=1S/C16H23N3O2/c1-10-8-12-11(9-13(10)21-15(20)17-3)16(2)6-7-18(4)14(16)19(12)5/h8-9,14H,6-7H2,1-5H3,(H,17,20)/t14-,16+/m1/s1
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n/an/a 8.53E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10985
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)N(C)c3ccccc3)ccc1N2C |r|
Show InChI InChI=1S/C21H25N3O2/c1-21-12-13-22(2)19(21)24(4)18-11-10-16(14-17(18)21)26-20(25)23(3)15-8-6-5-7-9-15/h5-11,14,19H,12-13H2,1-4H3/t19-,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10986
PNG
((3aS,8aR)-1,3a,6,8-tetramethyl-1,2,3,3a,8,8a-hexah...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)c(C)cc1N2C |r|
Show InChI InChI=1S/C16H23N3O2/c1-10-8-12-11(9-13(10)21-15(20)17-3)16(2)6-7-18(4)14(16)19(12)5/h8-9,14H,6-7H2,1-5H3,(H,17,20)/t14-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 44: 4062-71 (2001)


Article DOI: 10.1021/jm010080x
BindingDB Entry DOI: 10.7270/Q2XS5SNV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%