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Compile Data Set for Download or QSAR

Found 831 hits with Last Name = 'bey' and Initial = 'p'   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50228471
PNG
(CHEMBL131548)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H50F3N5O8/c1-24(2)30(32(47)38(39,40)41)44-34(49)29-19-13-21-46(29)35(50)31(25(3)4)45-33(48)28(43-37(52)54-23-27-16-9-6-10-17-27)18-11-12-20-42-36(51)53-22-26-14-7-5-8-15-26/h5-10,14-17,24-25,28-31H,11-13,18-23H2,1-4H3,(H,42,51)(H,43,52)(H,44,49)(H,45,48)/t28-,29-,30-,31-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human leukocyte Elastase


J Med Chem 33: 394-407 (1990)


Article DOI: 10.1021/jm00163a063
BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor


J Med Chem 33: 3127-30 (1991)


Article DOI: 10.1021/jm00174a004
BindingDB Entry DOI: 10.7270/Q2ZC83GN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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0.460n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor


J Med Chem 33: 3127-30 (1991)


Article DOI: 10.1021/jm00174a004
BindingDB Entry DOI: 10.7270/Q2ZC83GN
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
BDBM50014738
PNG
(CHEMBL130253 | N-(Adamantyl-sulfonyl)-N-(methoxy s...)
Show SMILES COC(=O)CCC(=O)NCCCC[C@H](NS(=O)(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H49F3N4O8S/c1-19(2)27(28(42)32(33,34)35)37-29(43)24-8-6-12-39(24)30(44)23(7-4-5-11-36-25(40)9-10-26(41)47-3)38-48(45,46)31-16-20-13-21(17-31)15-22(14-20)18-31/h19-24,27,38H,4-18H2,1-3H3,(H,36,40)(H,37,43)/t20?,21?,22?,23-,24-,27-,31?/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)


Article DOI: 10.1021/jm00163a063
BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/s2
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0.850n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor


J Med Chem 33: 3127-30 (1991)


Article DOI: 10.1021/jm00174a004
BindingDB Entry DOI: 10.7270/Q2ZC83GN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50014735
PNG
((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H33F3N4O6/c1-14(2)19(20(33)25(26,27)28)31-22(35)18-11-8-12-32(18)23(36)16(4)29-21(34)15(3)30-24(37)38-13-17-9-6-5-7-10-17/h5-7,9-10,14-16,18-19H,8,11-13H2,1-4H3,(H,29,34)(H,30,37)(H,31,35)/t15-,16-,18-,19-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated In vitro for inhibition of human neutrophil elastase


Bioorg Med Chem Lett 2: 1235-1238 (1992)


Article DOI: 10.1016/S0960-894X(00)80220-6
BindingDB Entry DOI: 10.7270/Q2DB81SJ
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
BDBM50014735
PNG
((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H33F3N4O6/c1-14(2)19(20(33)25(26,27)28)31-22(35)18-11-8-12-32(18)23(36)16(4)29-21(34)15(3)30-24(37)38-13-17-9-6-5-7-10-17/h5-7,9-10,14-16,18-19H,8,11-13H2,1-4H3,(H,29,34)(H,30,37)(H,31,35)/t15-,16-,18-,19-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)


Article DOI: 10.1021/jm00163a063
BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395858
PNG
(CHEMBL2165519)
Show SMILES CN(C)C1CCc2ccc3n(ccc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C20H22N2O2S/c1-21(2)16-10-8-15-9-11-20-18(19(15)14-16)12-13-22(20)25(23,24)17-6-4-3-5-7-17/h3-7,9,11-13,16H,8,10,14H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells after 120 mins by scintillation counter in presence of methiothepin


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand


J Med Chem 33: 3127-30 (1991)


Article DOI: 10.1021/jm00174a004
BindingDB Entry DOI: 10.7270/Q2ZC83GN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163069
PNG
(1-Benzenesulfonyl-5-chloro-3-((R)-1-methyl-pyrroli...)
Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21ClN2O2S/c1-22-11-5-6-17(22)12-15-14-23(20-10-9-16(21)13-19(15)20)26(24,25)18-7-3-2-4-8-18/h2-4,7-10,13-14,17H,5-6,11-12H2,1H3/t17-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395860
PNG
(CHEMBL2165520)
Show SMILES NC1Cc2cn(c3cccc(C1)c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C17H16N2O2S/c18-14-9-12-5-4-8-16-17(12)13(10-14)11-19(16)22(20,21)15-6-2-1-3-7-15/h1-8,11,14H,9-10,18H2
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1.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244866
PNG
(CHEMBL511820 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1/C22H22N2O7/c1-23(2)19-6-4-3-5-18(19)21(27)30-14-22(13-25)12-16(20(26)31-22)11-15-7-9-17(10-8-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-11+
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1.80n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395855
PNG
(CHEMBL2165524)
Show SMILES CN(C)C1CCc2c(C1)c1cc(Br)ccc1n2S(=O)(=O)c1ccccc1
Show InChI InChI=1/C20H21BrN2O2S/c1-22(2)15-9-11-20-18(13-15)17-12-14(21)8-10-19(17)23(20)26(24,25)16-6-4-3-5-7-16/h3-8,10,12,15H,9,11,13H2,1-2H3
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1.83n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395838
PNG
(CHEMBL2165541)
Show SMILES CN(C)C1CCc2c(C1)c1ccccc1n2S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1/C21H21F3N2O2S/c1-25(2)15-10-11-20-18(13-15)17-8-3-4-9-19(17)26(20)29(27,28)16-7-5-6-14(12-16)21(22,23)24/h3-9,12,15H,10-11,13H2,1-2H3
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1.92n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50035489
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-sulfonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C28H37F5N4O7S/c1-16(2)21(23(38)27(29,30)28(31,32)33)34-25(40)20-6-5-11-37(20)26(41)22(17(3)4)35-24(39)18-7-9-19(10-8-18)45(42,43)36-12-14-44-15-13-36/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,34,40)(H,35,39)/t20-,21?,22-/m0/s1
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2n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase


J Med Chem 37: 4538-53 (1995)


Article DOI: 10.1021/jm00052a013
BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50069667
PNG
((S)-3-{[1-((S)-2-{(S)-2-[4-(4-Chloro-benzenesulfon...)
Show SMILES COC(=O)C(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C32H38ClN5O10S/c1-17(2)25(26(39)32(45)48-5)36-30(43)24-7-6-16-38(24)31(44)19(4)35-27(40)18(3)34-28(41)20-8-10-21(11-9-20)29(42)37-49(46,47)23-14-12-22(33)13-15-23/h8-15,17-19,24-25H,6-7,16H2,1-5H3,(H,34,41)(H,35,40)(H,36,43)(H,37,42)/t18-,19-,24?,25-/m0/s1
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2n/an/an/an/an/an/an/an/a



Cinc

Curated by ChEMBL


Assay Description
Tested for rate of substrate hydrolysis in the presence of human neutrophil elastase


Bioorg Med Chem Lett 8: 63-4 (1999)


Article DOI: 10.1016/s0960-894x(97)10184-6
BindingDB Entry DOI: 10.7270/Q2K936PK
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244416
PNG
(CHEMBL527875 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
Show InChI InChI=1/C21H26BrFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.07n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor


Bioorg Med Chem Lett 21: 4577-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.106
BindingDB Entry DOI: 10.7270/Q2GH9JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50421993
PNG
(CHEMBL2113423)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12
Show InChI InChI=1/C13H17N5O4/c19-3-7-9(20)10(21)13(22-7)18-5-16-8-11(17-6-1-2-6)14-4-15-12(8)18/h4-7,9-10,13,19-21H,1-3H2,(H,14,15,17)/t7-,9-,10-,13-/s2
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2.10n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor


J Med Chem 33: 3127-30 (1991)


Article DOI: 10.1021/jm00174a004
BindingDB Entry DOI: 10.7270/Q2ZC83GN
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50245091
PNG
(CHEMBL519398 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES OCC1(COC(=O)c2ccc(cc2)[N+]([O-])=O)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1/C20H16N2O9/c23-11-20(12-30-18(24)14-3-7-17(8-4-14)22(28)29)10-15(19(25)31-20)9-13-1-5-16(6-2-13)21(26)27/h1-9,23H,10-12H2/b15-9+
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2.22n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50130274
PNG
((9-Benzenesulfonyl-6-methoxy-2,3,4,9-tetrahydro-1H...)
Show SMILES COc1ccc2n(c3CCCC(CN(C)C)c3c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C22H26N2O3S/c1-23(2)15-16-8-7-11-21-22(16)19-14-17(27-3)12-13-20(19)24(21)28(25,26)18-9-5-4-6-10-18/h4-6,9-10,12-14,16H,7-8,11,15H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244865
PNG
(CHEMBL471153 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1/C22H22N2O7/c1-23(2)19-5-3-4-16(11-19)20(26)30-14-22(13-25)12-17(21(27)31-22)10-15-6-8-18(9-7-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-10+
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2.30n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/s2
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2.40n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand


J Med Chem 33: 3127-30 (1991)


Article DOI: 10.1021/jm00174a004
BindingDB Entry DOI: 10.7270/Q2ZC83GN
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244693
PNG
(CHEMBL516638 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1
Show InChI InChI=1/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.45n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244961
PNG
(CHEMBL472520 | rac-(E/Z)-(4-heptylidene-2-(hydroxy...)
Show SMILES CCCCCC\C=C1\CC(CO)(COC(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)OC1=O
Show InChI InChI=1/C29H44O5/c1-8-9-10-11-12-13-22-16-29(17-30,34-27(22)31)18-33-28(32)26-24(20(4)5)14-23(19(2)3)15-25(26)21(6)7/h13-15,19-21,30H,8-12,16-18H2,1-7H3/b22-13-
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2.5n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345760
PNG
(1-(Benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-i...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2
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2.52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345777
PNG
(1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3
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2.56n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345758
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(piperazin...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(Cl)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H19ClFN3O2S/c20-18-13-24(27(25,26)16-4-2-15(21)3-5-16)19-6-1-14(11-17(18)19)12-23-9-7-22-8-10-23/h1-6,11,13,22H,7-10,12H2
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2.58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244413
PNG
(CHEMBL488498 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
Show InChI InChI=1/C21H26BrFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.66n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395839
PNG
(CHEMBL2165540)
Show SMILES CSc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1/C21H23ClN2O2S2/c1-23(2)15-7-9-20-18(12-15)19-13-16(27-3)8-10-21(19)24(20)28(25,26)17-6-4-5-14(22)11-17/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3
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2.68n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395886
PNG
(CHEMBL2165545)
Show SMILES CN(C)C1CCc2c(C1)c1ccccc1n2S(=O)(=O)c1ccccc1Br
Show InChI InChI=1/C20H21BrN2O2S/c1-22(2)14-11-12-19-16(13-14)15-7-3-5-9-18(15)23(19)26(24,25)20-10-6-4-8-17(20)21/h3-10,14H,11-13H2,1-2H3
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2.85n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244414
PNG
(CHEMBL488500 | rac-(E)-{4-[(4-Chlorophenyl)methyle...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1/C21H27ClO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244648
PNG
(CHEMBL453598 | rac-(E)-(2-(Hydroxymethyl)-5-oxo-4-...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(F)(F)F)C(=O)O1
Show InChI InChI=1/C22H27F3O5/c1-3-5-16(6-4-2)19(27)29-14-21(13-26)12-17(20(28)30-21)11-15-7-9-18(10-8-15)22(23,24)25/h7-11,16,26H,3-6,12-14H2,1-2H3/b17-11+
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2.96n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345754
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
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2.97n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50035500
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23?,24-/m0/s1
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3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase


J Med Chem 37: 4538-53 (1995)


Article DOI: 10.1021/jm00052a013
BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345763
PNG
(1-(4-Chloro benzenesulfonyl)-5-(4-methylpiperazin-...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H22ClN3O2S/c1-22-10-12-23(13-11-22)15-16-2-7-20-17(14-16)8-9-24(20)27(25,26)19-5-3-18(21)4-6-19/h2-9,14H,10-13,15H2,1H3
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3.02n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50245049
PNG
(CHEMBL488706 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1/C21H27NO7/c1-3-5-6-16(4-2)19(24)28-14-21(13-23)12-17(20(25)29-21)11-15-7-9-18(10-8-15)22(26)27/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
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3.10n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345762
PNG
(1-(3-trifluoromethyl benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H22F3N3O2S/c1-25-9-11-26(12-10-25)15-16-5-6-20-17(13-16)7-8-27(20)30(28,29)19-4-2-3-18(14-19)21(22,23)24/h2-8,13-14H,9-12,15H2,1H3
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3.15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM42467
PNG
((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor


J Med Chem 33: 3127-30 (1991)


Article DOI: 10.1021/jm00174a004
BindingDB Entry DOI: 10.7270/Q2ZC83GN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345772
PNG
(1-(4-Fluoro benzenesulfonyl)-5-(4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H24FN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
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3.21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345753
PNG
(3-Chloro-1-(2,4-difluorobenzenesulfonyl)-5-(4-meth...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2F)CC1
Show InChI InChI=1S/C20H20ClF2N3O2S/c1-24-6-8-25(9-7-24)12-14-2-4-19-16(10-14)17(21)13-26(19)29(27,28)20-5-3-15(22)11-18(20)23/h2-5,10-11,13H,6-9,12H2,1H3
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3.36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244740
PNG
(CHEMBL461372 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1
Show InChI InChI=1/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-17(22)18(23)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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3.38n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395879
PNG
(CHEMBL2165552)
Show SMILES COc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1ccccc1F
Show InChI InChI=1/C21H23FN2O3S/c1-23(2)14-8-10-19-16(12-14)17-13-15(27-3)9-11-20(17)24(19)28(25,26)21-7-5-4-6-18(21)22/h4-7,9,11,13-14H,8,10,12H2,1-3H3
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3.63n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244908
PNG
(CHEMBL511301 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3c(C)cc(C)cc3C)OC2=O)cc1
Show InChI InChI=1/C24H26O6/c1-15-9-16(2)21(17(3)10-15)23(27)29-14-24(13-25)12-19(22(26)30-24)11-18-5-7-20(28-4)8-6-18/h5-11,25H,12-14H2,1-4H3/b19-11+
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3.70n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395835
PNG
(CHEMBL2165544)
Show SMILES COc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1/C22H23F3N2O3S/c1-26(2)15-7-9-20-18(12-15)19-13-16(30-3)8-10-21(19)27(20)31(28,29)17-6-4-5-14(11-17)22(23,24)25/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3
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3.71n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244482
PNG
((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1/C22H22N2O7/c1-23(2)18-9-5-16(6-10-18)20(26)30-14-22(13-25)12-17(21(27)31-22)11-15-3-7-19(8-4-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11+
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3.80n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345769
PNG
(1-Benzenesulfonyl-5-(4-methylpiperazin-1-yl-methyl...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-11-13-22(14-12-21)16-17-7-8-20-18(15-17)9-10-23(20)26(24,25)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3
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3.83n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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3.90n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand


J Med Chem 33: 3127-30 (1991)


Article DOI: 10.1021/jm00174a004
BindingDB Entry DOI: 10.7270/Q2ZC83GN
More data for this
Ligand-Target Pair
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