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Compile Data Set for Download or QSAR

Found 795 hits from Dart Neuroscience LLC   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434335
PNG
(CHEMBL2386729 | US9181275, 3)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=C(C)N2Cc3ccccc3CN=C2S1
Show InChI InChI=1/C26H31N3OS/c1-19-7-5-14-28(19)15-6-16-30-24-12-10-21(11-13-24)25-20(2)29-18-23-9-4-3-8-22(23)17-27-26(29)31-25/h3-4,8-13,19H,5-7,14-18H2,1-2H3/t19-/s2
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0.0200n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cortical membranes


ACS Med Chem Lett 4: 435-435 (2013)


Article DOI: 10.1021/ml400105b
BindingDB Entry DOI: 10.7270/Q2S75HQP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434337
PNG
(CHEMBL2386727 | US9181275, 1)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCC[C@H]2CO)cc1
Show InChI InChI=1/C26H31N3O2S/c1-19-25(32-26-27-16-21-6-2-3-7-22(21)17-29(19)26)20-9-11-24(12-10-20)31-15-5-14-28-13-4-8-23(28)18-30/h2-3,6-7,9-12,23,30H,4-5,8,13-18H2,1H3/t23-/s2
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0.0300n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cortical membranes


ACS Med Chem Lett 4: 435-435 (2013)


Article DOI: 10.1021/ml400105b
BindingDB Entry DOI: 10.7270/Q2S75HQP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434336
PNG
(CHEMBL2386728 | US9181275, 2)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H31N3OS/c1-20-25(31-26-27-18-22-8-3-4-9-23(22)19-29(20)26)21-10-12-24(13-11-21)30-17-7-16-28-14-5-2-6-15-28/h3-4,8-13H,2,5-7,14-19H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cortical membranes


ACS Med Chem Lett 4: 435-435 (2013)


Article DOI: 10.1021/ml400105b
BindingDB Entry DOI: 10.7270/Q2S75HQP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201006
PNG
(CHEMBL3923709 | US10138212, Example 5)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(C)C
Show InChI InChI=1S/C19H21N5O2/c1-11(2)14-8-4-6-12(22-14)10-21-18(25)17-13-7-5-9-15(26-3)16(13)23-19(20)24-17/h4-9,11H,10H2,1-3H3,(H,21,25)(H2,20,23,24)
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0.200n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200981
PNG
(CHEMBL3960148 | US10138212, Example 6)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C1CCC1
Show InChI InChI=1S/C20H21N5O2/c1-27-16-10-4-8-14-17(16)24-20(21)25-18(14)19(26)22-11-13-7-3-9-15(23-13)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,26)(H2,21,24,25)
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0.200n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201019
PNG
(CHEMBL3973920 | US10138212, Example 44)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COc2ccccc2F)n1
Show InChI InChI=1S/C23H20FN5O3/c1-31-19-11-5-8-16-20(19)28-23(25)29-21(16)22(30)26-12-14-6-4-7-15(27-14)13-32-18-10-3-2-9-17(18)24/h2-11H,12-13H2,1H3,(H,26,30)(H2,25,28,29)
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0.200n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50011174
PNG
(CHEMBL3260311)
Show SMILES CN1CCC(CC1)c1cccc2cc(cnc12)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C20H21N3O2S/c1-23-11-8-15(9-12-23)18-6-4-5-16-13-17(14-22-20(16)18)26(24,25)19-7-2-3-10-21-19/h2-7,10,13-15H,8-9,11-12H2,1H3
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0.220n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 5: 275-6 (2014)


Article DOI: 10.1021/ml500045k
BindingDB Entry DOI: 10.7270/Q29P335X
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434334
PNG
(CHEMBL2386730 | US9181275, 4)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C25H29N3O2S/c1-19-24(31-25-26-17-21-5-2-3-6-22(21)18-28(19)25)20-7-9-23(10-8-20)30-14-4-11-27-12-15-29-16-13-27/h2-3,5-10H,4,11-18H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cortical membranes


ACS Med Chem Lett 4: 435-435 (2013)


Article DOI: 10.1021/ml400105b
BindingDB Entry DOI: 10.7270/Q2S75HQP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50011175
PNG
(CHEMBL3260313)
Show SMILES CN1CCN(CC1)c1cccc2cc(cnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 5: 275-6 (2014)


Article DOI: 10.1021/ml500045k
BindingDB Entry DOI: 10.7270/Q29P335X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50011175
PNG
(CHEMBL3260313)
Show SMILES CN1CCN(CC1)c1cccc2cc(cnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-R-O-DOI from human 5-HT2A receptor expressed in CHO-K1 cells by by liquid scintillation spectrometry


ACS Med Chem Lett 5: 275-6 (2014)


Article DOI: 10.1021/ml500045k
BindingDB Entry DOI: 10.7270/Q29P335X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200989
PNG
(CHEMBL3906827 | US10138212, Example 18)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N5O2/c1-27-11-6-3-5-10-13(11)24-16(21)25-14(10)15(26)22-8-9-4-2-7-12(23-9)17(18,19)20/h2-7H,8H2,1H3,(H,22,26)(H2,21,24,25)
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0.400n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200984
PNG
(CHEMBL3932655 | US10138212, Example 9)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(C)(C)O
Show InChI InChI=1S/C19H21N5O3/c1-19(2,26)14-9-4-6-11(22-14)10-21-17(25)16-12-7-5-8-13(27-3)15(12)23-18(20)24-16/h4-9,26H,10H2,1-3H3,(H,21,25)(H2,20,23,24)
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0.400n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201017
PNG
(CHEMBL3941632 | US10138212, Example 15)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C17H17N5O2/c1-10-5-3-6-11(20-10)9-19-16(23)15-12-7-4-8-13(24-2)14(12)21-17(18)22-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22)
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0.5n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200986
PNG
(CHEMBL3902955 | US10138212, Example 48)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COC2CCCC2)n1
Show InChI InChI=1S/C22H25N5O3/c1-29-18-11-5-10-17-19(18)26-22(23)27-20(17)21(28)24-12-14-6-4-7-15(25-14)13-30-16-8-2-3-9-16/h4-7,10-11,16H,2-3,8-9,12-13H2,1H3,(H,24,28)(H2,23,26,27)
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0.5n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201020
PNG
(CHEMBL3951425 | US10138212, Example 2)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1nc(ccc1C)C(C)(C)O
Show InChI InChI=1S/C20H23N5O3/c1-11-8-9-15(20(2,3)27)23-13(11)10-22-18(26)17-12-6-5-7-14(28-4)16(12)24-19(21)25-17/h5-9,27H,10H2,1-4H3,(H,22,26)(H2,21,24,25)
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0.600n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202998
PNG
(2-(4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(OCCO)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C24H27N9O3/c25-24-28-22-19(23-27-21(29-33(23)24)20-2-1-14-36-20)16-26-32(22)12-9-30-7-10-31(11-8-30)17-3-5-18(6-4-17)35-15-13-34/h1-6,14,16,34H,7-13,15H2,(H2,25,28)
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0.600n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2a receptor by competition binding assay


ACS Med Chem Lett 4: 5-6 (2013)


Article DOI: 10.1021/ml300397j
BindingDB Entry DOI: 10.7270/Q2HH6MC3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200988
PNG
(CHEMBL3977457 | US10138212, Example 21)
Show SMILES COc1cccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)n1
Show InChI InChI=1S/C17H17N5O3/c1-24-12-7-4-6-11-14(12)21-17(18)22-15(11)16(23)19-9-10-5-3-8-13(20-10)25-2/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22)
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0.800n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200982
PNG
(CHEMBL3911977)
Show SMILES CC(C)OCc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
Show InChI InChI=1S/C19H20FN5O2/c1-11(2)27-10-13-6-3-5-12(23-13)9-22-18(26)17-14-7-4-8-15(20)16(14)24-19(21)25-17/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H2,21,24,25)
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1n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202997
PNG
(4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H23N9O2/c23-22-26-20-17(21-25-19(27-31(21)22)18-2-1-13-33-18)14-24-30(20)12-9-28-7-10-29(11-8-28)15-3-5-16(32)6-4-15/h1-6,13-14,32H,7-12H2,(H2,23,26)
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1.30n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2a receptor by competition binding assay


ACS Med Chem Lett 4: 5-6 (2013)


Article DOI: 10.1021/ml300397j
BindingDB Entry DOI: 10.7270/Q2HH6MC3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50426503
PNG
(CHEMBL2323587)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(OCC(O)=O)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C24H25N9O4/c25-24-28-22-18(23-27-21(29-33(23)24)19-2-1-13-36-19)14-26-32(22)12-9-30-7-10-31(11-8-30)16-3-5-17(6-4-16)37-15-20(34)35/h1-6,13-14H,7-12,15H2,(H2,25,28)(H,34,35)
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1.40n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2a receptor by competition binding assay


ACS Med Chem Lett 4: 5-6 (2013)


Article DOI: 10.1021/ml300397j
BindingDB Entry DOI: 10.7270/Q2HH6MC3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201016
PNG
(CHEMBL3901883 | US10138212, Example 27)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(F)n1
Show InChI InChI=1S/C16H14FN5O2/c1-24-11-6-3-5-10-13(11)21-16(18)22-14(10)15(23)19-8-9-4-2-7-12(17)20-9/h2-7H,8H2,1H3,(H,19,23)(H2,18,21,22)
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1.5n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200985
PNG
(CHEMBL3965187 | US10138212, Example 107)
Show SMILES [2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(n1)C([2H])([2H])c1cncc(OCCOC)c1
Show InChI InChI=1S/C25H26N6O4/c1-33-9-10-35-19-12-16(13-27-15-19)11-17-5-3-6-18(29-17)14-28-24(32)23-20-7-4-8-21(34-2)22(20)30-25(26)31-23/h3-8,12-13,15H,9-11,14H2,1-2H3,(H,28,32)(H2,26,30,31)/i11D2,14D2
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2n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200987
PNG
(CHEMBL3920917 | US10138212, Example 23)
Show SMILES COc1cccnc1CNC(=O)c1nc(N)nc2c(OC)cccc12
Show InChI InChI=1S/C17H17N5O3/c1-24-12-7-4-8-19-11(12)9-20-16(23)15-10-5-3-6-13(25-2)14(10)21-17(18)22-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22)
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3n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/s2
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3.30n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50493775
PNG
(CHEMBL2441604)
Show SMILES Nc1ccc(CC2[C@@H]3CC[C@@H](C3)N=C2c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3/c20-16-6-3-13(4-7-16)10-18-14-5-8-17(11-14)22-19(18)15-2-1-9-21-12-15/h1-4,6-7,9,12,14,17-18H,5,8,10-11,20H2/t14-,17+,18?/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from Sprague-Dawley rat brain alpha7 nAChR after 3 hrs by liquid scintillation counting analysis


ACS Med Chem Lett 4: 902-3 (2013)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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3.90n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/s2
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3.90n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201009
PNG
(CHEMBL3971217 | US10138212, Example 14)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(CO)n1
Show InChI InChI=1S/C17H17N5O3/c1-25-13-7-3-6-12-14(13)21-17(18)22-15(12)16(24)19-8-10-4-2-5-11(9-23)20-10/h2-7,23H,8-9H2,1H3,(H,19,24)(H2,18,21,22)
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4.60n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201007
PNG
(CHEMBL3939976 | US10138212, Example 104)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(Cc2cccnc2)n1
Show InChI InChI=1S/C22H20N6O2/c1-30-18-9-3-8-17-19(18)27-22(23)28-20(17)21(29)25-13-16-7-2-6-15(26-16)11-14-5-4-10-24-12-14/h2-10,12H,11,13H2,1H3,(H,25,29)(H2,23,27,28)
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5n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/s2
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5.40n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12
Show InChI InChI=1/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/s2
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7.60n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201008
PNG
(CHEMBL3892905 | US10138212, Example 22)
Show SMILES COc1ccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)nc1
Show InChI InChI=1S/C17H17N5O3/c1-24-11-7-6-10(19-9-11)8-20-16(23)15-12-4-3-5-13(25-2)14(12)21-17(18)22-15/h3-7,9H,8H2,1-2H3,(H,20,23)(H2,18,21,22)
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7.80n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200983
PNG
(CHEMBL3981924 | US10138212, Example 57)
Show SMILES Nc1nc(C(=O)NCc2cccc(CO)n2)c2cccc(F)c2n1
Show InChI InChI=1S/C16H14FN5O2/c17-12-6-2-5-11-13(12)21-16(18)22-14(11)15(24)19-7-9-3-1-4-10(8-23)20-9/h1-6,23H,7-8H2,(H,19,24)(H2,18,21,22)
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9.60n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485709
PNG
(CHEMBL2152925)
Show SMILES CCOc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cccc(COC)c1
Show InChI InChI=1S/C20H27N3O4S/c1-3-27-20-8-7-18(14-19(20)23-11-9-21-10-12-23)28(24,25)22-17-6-4-5-16(13-17)15-26-2/h4-8,13-14,21-22H,3,9-12,15H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485705
PNG
(CHEMBL2152926)
Show SMILES COCc1ccccc1NS(=O)(=O)c1ccc(OC)c(c1)N1CCNCC1
Show InChI InChI=1S/C19H25N3O4S/c1-25-14-15-5-3-4-6-17(15)21-27(23,24)16-7-8-19(26-2)18(13-16)22-11-9-20-10-12-22/h3-8,13,20-21H,9-12,14H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485707
PNG
(CHEMBL2152935)
Show SMILES CCOc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1ccccc1COC
Show InChI InChI=1S/C20H27N3O4S/c1-3-27-20-9-8-17(14-19(20)23-12-10-21-11-13-23)28(24,25)22-18-7-5-4-6-16(18)15-26-2/h4-9,14,21-22H,3,10-13,15H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485708
PNG
(CHEMBL2153063)
Show SMILES COCc1ccccc1NS(=O)(=O)c1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C20H27N3O4S/c1-22-10-12-23(13-11-22)19-14-17(8-9-20(19)27-3)28(24,25)21-18-7-5-4-6-16(18)15-26-2/h4-9,14,21H,10-13,15H2,1-3H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485704
PNG
(CHEMBL2153060)
Show SMILES CCOc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)Nc1ccccc1COC
Show InChI InChI=1S/C21H29N3O4S/c1-4-28-21-10-9-18(15-20(21)24-13-11-23(2)12-14-24)29(25,26)22-19-8-6-5-7-17(19)16-27-3/h5-10,15,22H,4,11-14,16H2,1-3H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485702
PNG
(CHEMBL2152924)
Show SMILES COCc1cccc(NS(=O)(=O)c2ccc(OC)c(c2)N2CCNCC2)c1
Show InChI InChI=1S/C19H25N3O4S/c1-25-14-15-4-3-5-16(12-15)21-27(23,24)17-6-7-19(26-2)18(13-17)22-10-8-20-9-11-22/h3-7,12-13,20-21H,8-11,14H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485699
PNG
(CHEMBL2153061)
Show SMILES CCOc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)Nc1cccc(COC)c1
Show InChI InChI=1S/C21H29N3O4S/c1-4-28-21-9-8-19(15-20(21)24-12-10-23(2)11-13-24)29(25,26)22-18-7-5-6-17(14-18)16-27-3/h5-9,14-15,22H,4,10-13,16H2,1-3H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485696
PNG
(CHEMBL2152929)
Show SMILES COCc1cccc(NS(=O)(=O)c2ccc(OC)c(c2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C20H27N3O4S/c1-22-9-11-23(12-10-22)19-14-18(7-8-20(19)27-3)28(24,25)21-17-6-4-5-16(13-17)15-26-2/h4-8,13-14,21H,9-12,15H2,1-3H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485695
PNG
(CHEMBL2152928)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cccc(COCC(F)(F)F)c1
Show InChI InChI=1S/C20H24F3N3O4S/c1-29-19-6-5-17(12-18(19)26-9-7-24-8-10-26)31(27,28)25-16-4-2-3-15(11-16)13-30-14-20(21,22)23/h2-6,11-12,24-25H,7-10,13-14H2,1H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485694
PNG
(CHEMBL2152927)
Show SMILES CCOCc1cccc(NS(=O)(=O)c2ccc(OC)c(c2)N2CCNCC2)c1
Show InChI InChI=1S/C20H27N3O4S/c1-3-27-15-16-5-4-6-17(13-16)22-28(24,25)18-7-8-20(26-2)19(14-18)23-11-9-21-10-12-23/h4-8,13-14,21-22H,3,9-12,15H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485693
PNG
(CHEMBL2152923)
Show SMILES COCc1cccc(NS(=O)(=O)c2ccc(C)c(c2)N2CCNCC2)c1
Show InChI InChI=1S/C19H25N3O3S/c1-15-6-7-18(13-19(15)22-10-8-20-9-11-22)26(23,24)21-17-5-3-4-16(12-17)14-25-2/h3-7,12-13,20-21H,8-11,14H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201018
PNG
(CHEMBL3914681)
Show SMILES COc1ccc(nc1CNC(=O)c1nc(N)nc2c(OC)cccc12)C(C)(C)O
Show InChI InChI=1S/C20H23N5O4/c1-20(2,27)15-9-8-13(28-3)12(23-15)10-22-18(26)17-11-6-5-7-14(29-4)16(11)24-19(21)25-17/h5-9,27H,10H2,1-4H3,(H,22,26)(H2,21,24,25)
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10n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12
Show InChI InChI=1/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/s2
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14n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50493774
PNG
(CHEMBL2441601)
Show SMILES COc1ccc(CC2[C@@H]3CC[C@@H](C3)N=C2c2cccnc2)c(OC)c1
Show InChI InChI=1S/C21H24N2O2/c1-24-18-8-6-15(20(12-18)25-2)11-19-14-5-7-17(10-14)23-21(19)16-4-3-9-22-13-16/h3-4,6,8-9,12-14,17,19H,5,7,10-11H2,1-2H3/t14-,17+,19?/m1/s1
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16n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from Sprague-Dawley rat brain alpha7 nAChR after 3 hrs by liquid scintillation counting analysis


ACS Med Chem Lett 4: 902-3 (2013)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/s2
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17n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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20n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50485703
PNG
(CHEMBL2152930)
Show SMILES COC(C)c1cccc(NS(=O)(=O)c2ccc(OC)c(c2)N2CCNCC2)c1
Show InChI InChI=1S/C20H27N3O4S/c1-15(26-2)16-5-4-6-17(13-16)22-28(24,25)18-7-8-20(27-3)19(14-18)23-11-9-21-10-12-23/h4-8,13-15,21-22H,9-12H2,1-3H3
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<20n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor


ACS Med Chem Lett 3: 881-2 (2012)

More data for this
Ligand-Target Pair
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