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PubMed code 22019465

Compile data set for download or QSAR
Found 28 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


(Rattus norvegicus (rat))		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 5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))		BDBM50359378
PNG
(CHEMBL1929417)
Show SMILES NC1=Nc2ccc(Oc3ccccc3)cc2CN1CCC(=O)NC1C2CC3CC(C2)CC1C3 |t:1,TLB:32:31:29:25.26.27,THB:27:26:23:30.28.29,27:28:23:25.32.26,22:23:29:25.26.27,32:26:23.31.30:29,(1.51,-50.04,;.18,-49.27,;-1.17,-50.03,;-2.5,-49.26,;-3.83,-50.04,;-5.16,-49.27,;-5.16,-47.72,;-6.49,-46.95,;-7.83,-47.73,;-9.16,-46.95,;-10.49,-47.72,;-10.49,-49.26,;-9.15,-50.03,;-7.82,-49.26,;-3.83,-46.95,;-2.5,-47.72,;-1.16,-46.94,;.18,-47.72,;1.51,-46.95,;2.84,-47.73,;4.18,-46.96,;4.18,-45.42,;5.51,-47.73,;6.85,-46.97,;8.08,-45.71,;9.39,-46.23,;10.8,-45.92,;10.85,-44.39,;9.46,-43.78,;8.1,-44.22,;8.39,-44.99,;8.36,-46.58,;9.76,-47.17,)|
Show InChI InChI=1S/C27H32N4O2/c28-27-29-24-7-6-23(33-22-4-2-1-3-5-22)15-21(24)16-31(27)9-8-25(32)30-26-19-11-17-10-18(13-19)14-20(26)12-17/h1-7,15,17-20,26H,8-14,16H2,(H2,28,29)(H,30,32)
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n/an/a 11n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of BACE1

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50169850
PNG
(5,6-Dimethoxy-2-(4-pyrrolidin-1-ylmethyl-phenoxy)-...)
Show SMILES COc1cc2CC(Oc3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H25NO4/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)27-17-7-5-15(6-8-17)14-23-9-3-4-10-23/h5-8,11,13,21H,3-4,9-10,12,14H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359382
PNG
(CHEMBL1929406)
Show SMILES Nc1nc2ccccc2nc1NCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N5O/c23-21-22(26-20-7-3-2-6-19(20)25-21)24-12-15-28-18-10-8-17(9-11-18)16-27-13-4-1-5-14-27/h2-3,6-11H,1,4-5,12-16H2,(H2,23,25)(H,24,26)
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n/an/a 52n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359389
PNG
(CHEMBL1929412)
Show SMILES Nc1nc2ccccc2nc1CNc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H25N5/c22-21-20(24-18-6-2-3-7-19(18)25-21)14-23-17-10-8-16(9-11-17)15-26-12-4-1-5-13-26/h2-3,6-11,23H,1,4-5,12-15H2,(H2,22,25)
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n/an/a 130n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a 171n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inverse agonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/his...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359383
PNG
(CHEMBL1929407)
Show SMILES CCN(CC)Cc1ccc(OCCNc2nc3ccccc3nc2N)cc1
Show InChI InChI=1S/C21H27N5O/c1-3-26(4-2)15-16-9-11-17(12-10-16)27-14-13-23-21-20(22)24-18-7-5-6-8-19(18)25-21/h5-12H,3-4,13-15H2,1-2H3,(H2,22,24)(H,23,25)
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n/an/a 182n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a 189n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inverse agonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/his...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359386
PNG
(CHEMBL1929411)
Show SMILES Nc1nc2ccccc2nc1C(=O)Nc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C20H21N5O/c21-19-18(23-16-5-1-2-6-17(16)24-19)20(26)22-15-9-7-14(8-10-15)13-25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H2,21,24)(H,22,26)
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n/an/a 260n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a 280n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a 313n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359386
PNG
(CHEMBL1929411)
Show SMILES Nc1nc2ccccc2nc1C(=O)Nc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C20H21N5O/c21-19-18(23-16-5-1-2-6-17(16)24-19)20(26)22-15-9-7-14(8-10-15)13-25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H2,21,24)(H,22,26)
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n/an/a 379n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359379
PNG
(CHEMBL1929403)
Show SMILES Nc1nc2ccccc2nc1NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H25N5/c22-20-21(25-19-7-3-2-6-18(19)24-20)23-14-16-8-10-17(11-9-16)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-15H2,(H2,22,24)(H,23,25)
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n/an/a 476n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a 483n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a 511n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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n/an/a 518n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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n/an/a 667n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H4 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359387
PNG
(CHEMBL1929413)
Show SMILES Nc1nc2ccccc2nc1\N=C\c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5/c22-20-21(25-19-7-3-2-6-18(19)24-20)23-14-16-8-10-17(11-9-16)15-26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15H2,(H2,22,24)/b23-14+
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n/an/a 748n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359385
PNG
(CHEMBL1929410)
Show SMILES Nc1nc2ccccc2nc1C(=O)Nc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-20-19(24-17-6-2-3-7-18(17)25-20)21(27)23-16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,25)(H,23,27)
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n/an/a 892n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359380
PNG
(CHEMBL1929404)
Show SMILES Nc1nc2ccccc2nc1NCC(=O)Nc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H26N6O/c23-21-22(27-19-7-3-2-6-18(19)26-21)24-14-20(29)25-17-10-8-16(9-11-17)15-28-12-4-1-5-13-28/h2-3,6-11H,1,4-5,12-15H2,(H2,23,26)(H,24,27)(H,25,29)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359381
PNG
(CHEMBL1929405)
Show SMILES Nc1nc2ccccc2nc1NCC(=O)Nc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C21H24N6O/c22-20-21(26-18-6-2-1-5-17(18)25-20)23-13-19(28)24-16-9-7-15(8-10-16)14-27-11-3-4-12-27/h1-2,5-10H,3-4,11-14H2,(H2,22,25)(H,23,26)(H,24,28)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359388
PNG
(CHEMBL1929416)
Show SMILES Nc1nc2ccccc2nc1NCC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H26N6O/c23-21-22(27-19-9-5-4-8-18(19)26-21)24-14-20(29)25-17-10-12-28(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,23,26)(H,24,27)(H,25,29)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359386
PNG
(CHEMBL1929411)
Show SMILES Nc1nc2ccccc2nc1C(=O)Nc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C20H21N5O/c21-19-18(23-16-5-1-2-6-17(16)24-19)20(26)22-15-9-7-14(8-10-15)13-25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H2,21,24)(H,22,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359382
PNG
(CHEMBL1929406)
Show SMILES Nc1nc2ccccc2nc1NCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N5O/c23-21-22(26-20-7-3-2-6-19(20)25-21)24-12-15-28-18-10-8-17(9-11-18)16-27-13-4-1-5-14-27/h2-3,6-11H,1,4-5,12-16H2,(H2,23,25)(H,24,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359384
PNG
(CHEMBL1929409)
Show SMILES Nc1nc2ccccc2nc1NCCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H29N5O/c24-22-23(27-21-8-3-2-7-20(21)26-22)25-13-6-16-29-19-11-9-18(10-12-19)17-28-14-4-1-5-15-28/h2-3,7-12H,1,4-6,13-17H2,(H2,24,26)(H,25,27)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50359383
PNG
(CHEMBL1929407)
Show SMILES CCN(CC)Cc1ccc(OCCNc2nc3ccccc3nc2N)cc1
Show InChI InChI=1S/C21H27N5O/c1-3-26(4-2)15-16-9-11-17(12-10-16)27-14-13-23-21-20(22)24-18-7-5-6-8-19(18)25-21/h5-12H,3-4,13-15H2,1-2H3,(H2,22,24)(H,23,25)
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n/an/a 3.87E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H4 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50359376
PNG
(CHEMBL1929400 | CHEMBL1929401)
Show SMILES Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H23N5O/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H4 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...

Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%