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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'lee' and Initial = 'sa'   
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
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50049820
PNG
(4-Amino-5-carboxamide-7-(D-ribofuranosyl)pyrrolo[2...)
Show SMILES NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1
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180n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rhodopsin kinase (unknown origin)


J Biol Chem 282: 15271-83 (2007)


Article DOI: 10.1074/jbc.M701362200
BindingDB Entry DOI: 10.7270/Q2XD11FR
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028051
PNG
(CHEMBL23626 | Diallyl-(1-phenyl-cyclohexyl)-amine)
Show SMILES C=CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H25N/c1-3-15-19(16-4-2)18(13-9-6-10-14-18)17-11-7-5-8-12-17/h3-5,7-8,11-12H,1-2,6,9-10,13-16H2
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028051
PNG
(CHEMBL23626 | Diallyl-(1-phenyl-cyclohexyl)-amine)
Show SMILES C=CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H25N/c1-3-15-19(16-4-2)18(13-9-6-10-14-18)17-11-7-5-8-12-17/h3-5,7-8,11-12H,1-2,6,9-10,13-16H2
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501n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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525n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028052
PNG
(Allyl-ethyl-(1-phenyl-cyclohexyl)-amine | CHEMBL23...)
Show SMILES CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
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2.57E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for serotonin receptor affinity by the displacement of [3H]- -5-HT binding to rat fundus membranes.


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028052
PNG
(Allyl-ethyl-(1-phenyl-cyclohexyl)-amine | CHEMBL23...)
Show SMILES CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
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2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028053
PNG
(Allyl-methyl-(1-phenyl-cyclohexyl)-amine | CHEMBL2...)
Show SMILES CN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-3-14-17(2)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h3-4,6-7,10-11H,1,5,8-9,12-14H2,2H3
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5.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028053
PNG
(Allyl-methyl-(1-phenyl-cyclohexyl)-amine | CHEMBL2...)
Show SMILES CN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-3-14-17(2)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h3-4,6-7,10-11H,1,5,8-9,12-14H2,2H3
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5.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028054
PNG
(Allyl-(1-phenyl-cyclohexyl)-amine | CHEMBL281855)
Show SMILES C=CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C15H21N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
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2.69E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028054
PNG
(Allyl-(1-phenyl-cyclohexyl)-amine | CHEMBL281855)
Show SMILES C=CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C15H21N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
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2.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028055
PNG
(CHEMBL279924 | Ethyl-(1-phenyl-cyclohexyl)-amine |...)
Show SMILES CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
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5.75E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028055
PNG
(CHEMBL279924 | Ethyl-(1-phenyl-cyclohexyl)-amine |...)
Show SMILES CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
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5.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50049820
PNG
(4-Amino-5-carboxamide-7-(D-ribofuranosyl)pyrrolo[2...)
Show SMILES NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1
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6.70E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor kinase(unknown origin)


J Biol Chem 282: 15271-83 (2007)


Article DOI: 10.1074/jbc.M701362200
BindingDB Entry DOI: 10.7270/Q2XD11FR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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n/an/an/a 9.10E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50028052
PNG
(Allyl-ethyl-(1-phenyl-cyclohexyl)-amine | CHEMBL23...)
Show SMILES CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
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n/an/an/a 1.40E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50028051
PNG
(CHEMBL23626 | Diallyl-(1-phenyl-cyclohexyl)-amine)
Show SMILES C=CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H25N/c1-3-15-19(16-4-2)18(13-9-6-10-14-18)17-11-7-5-8-12-17/h3-5,7-8,11-12H,1-2,6,9-10,13-16H2
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n/an/an/a 2.50E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50028053
PNG
(Allyl-methyl-(1-phenyl-cyclohexyl)-amine | CHEMBL2...)
Show SMILES CN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-3-14-17(2)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h3-4,6-7,10-11H,1,5,8-9,12-14H2,2H3
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n/an/an/a 1.50E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50028054
PNG
(Allyl-(1-phenyl-cyclohexyl)-amine | CHEMBL281855)
Show SMILES C=CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C15H21N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
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n/an/an/a 7.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair