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Compile Data Set for Download or QSAR

Found 1031 hits with Last Name = 'elz' and Initial = 's'   
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
GABA A receptor alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048833
PNG
(CHEMBL48211 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)
Show SMILES Cc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H22N6O3/c1-13-3-2-4-15-18(13)26(21(28)25-7-9-29-10-8-25)11-16-17(22-12-27(15)16)19-23-20(30-24-19)14-5-6-14/h2-4,12,14H,5-11H2,1H3
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0n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048825
PNG
(CHEMBL48403 | [7-Chloro-3-(5-cyclopropyl-[1,2,4]ox...)
Show SMILES Clc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2
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0n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263483
PNG
(CHEMBL4082520)
PDB
MMDB

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0.0800n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263441
PNG
(CHEMBL4100534)
PDB
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0.150n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263449
PNG
(CHEMBL4101480)
PDB
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0.160n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048831
PNG
(CHEMBL50763 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)
Show SMILES Fc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2
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0.170n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048825
PNG
(CHEMBL48403 | [7-Chloro-3-(5-cyclopropyl-[1,2,4]ox...)
Show SMILES Clc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2
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0.220n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263481
PNG
(CHEMBL4074800)
PDB
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0.230n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091385
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H17N3O2/c1-11(17-18)12-4-6-14(7-5-12)19-8-2-3-13-9-15-10-16-13/h4-7,9-11H,2-3,8H2,1H3,(H,15,16)
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0.260n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50040729
PNG
(CHEMBL49888 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)
Show SMILES O=C(N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1)c1ccccc1
Show InChI InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2
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0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091373
PNG
(1-{2-Fluoro-4-[3-(1H-imidazol-4-yl)-propoxy]-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1F
Show InChI InChI=1S/C14H16FN3O2/c1-10(18-19)13-5-4-12(7-14(13)15)20-6-2-3-11-8-16-9-17-11/h4-5,7-10H,2-3,6H2,1H3,(H,16,17)
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0.300n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048828
PNG
(CHEMBL290036 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-...)
Show SMILES Fc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2
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0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263447
PNG
(CHEMBL4062190)
PDB
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0.320n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263484
PNG
(CHEMBL4092802)
PDB
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0.420n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091396
PNG
(4-[3-(1H-Imidazol-4-yl)-propoxy]-benzaldehyde oxim...)
Show SMILES O=NCc1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15N3O2/c17-16-8-11-3-5-13(6-4-11)18-7-1-2-12-9-14-10-15-12/h3-6,9-10H,1-2,7-8H2,(H,14,15)
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0.440n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263451
PNG
(CHEMBL4065283)
PDB
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0.450n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091382
PNG
(CHEMBL324724 | N-Hydroxy-4-[3-(1H-imidazol-4-yl)-p...)
Show SMILES ONC(=N)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N4O2/c14-13(17-18)10-3-5-12(6-4-10)19-7-1-2-11-8-15-9-16-11/h3-6,8-9,18H,1-2,7H2,(H2,14,17)(H,15,16)
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0.460n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263482
PNG
(CHEMBL4072045)
PDB
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0.480n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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0.490n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048831
PNG
(CHEMBL50763 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)
Show SMILES Fc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2
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0.510n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263448
PNG
(CHEMBL4075722)
PDB
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0.510n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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0.640n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252395
PNG
(CHEMBL4087616)
PDB
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0.700n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263479
PNG
(CHEMBL4092880)
PDB
MMDB

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0.700n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048828
PNG
(CHEMBL290036 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-...)
Show SMILES Fc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2
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0.700n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406642
PNG
(CHEMBL72193)
Show SMILES Nc1ccc(cc1I)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:33.36|
Show InChI InChI=1S/C26H34IN7O2/c27-23-17-21(8-9-24(23)29)25(35)30-11-12-32-26(33-19-28)31-10-5-15-36-22-7-4-6-20(16-22)18-34-13-2-1-3-14-34/h4,6-9,16-17H,1-3,5,10-15,18,29H2,(H,30,35)(H2,31,32,33)
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0.708n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL




J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091386
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2O2/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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0.800n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263450
PNG
(CHEMBL4083713)
PDB
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0.880n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091372
PNG
(CHEMBL322481 | N-(1-{4-[3-(1H-Imidazol-4-yl)-propo...)
Show SMILES CC(NO)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H19N3O2/c1-11(17-18)12-4-6-14(7-5-12)19-8-2-3-13-9-15-10-16-13/h4-7,9-11,17-18H,2-3,8H2,1H3,(H,15,16)
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0.930n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86174
PNG
(CAS_486-12-4 | NSC_5282443 | Triprolidine)
Show SMILES Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1 |w:8.9|
Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3
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1.15n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1104-15 (2003)


Article DOI: 10.1124/jpet.103.049619
BindingDB Entry DOI: 10.7270/Q2HM5708
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091371
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-2-methyl-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1C
Show InChI InChI=1S/C15H19N3O2/c1-11-8-14(5-6-15(11)12(2)18-19)20-7-3-4-13-9-16-10-17-13/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,16,17)
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1.40n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091384
PNG
(4-[3-(1H-Imidazol-4-yl)-propoxy]-benzoic acid hydr...)
Show SMILES NNC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N4O2/c14-17-13(18)10-3-5-12(6-4-10)19-7-1-2-11-8-15-9-16-11/h3-6,8-9H,1-2,7,14H2,(H,15,16)(H,17,18)
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1.5n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091375
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-3-methyl-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)c(C)c1
Show InChI InChI=1S/C15H19N3O2/c1-11-8-13(12(2)18-19)5-6-15(11)20-7-3-4-14-9-16-10-17-14/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,16,17)
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1.5n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048855
PNG
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)
Show SMILES CN(C)C(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1
Show InChI InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263466
PNG
(CHEMBL4100615)
PDB
MMDB

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1.80n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263477
PNG
(CHEMBL4073813)
PDB
MMDB

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1.90n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263452
PNG
(CHEMBL4066262)
PDB
MMDB

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2n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048825
PNG
(CHEMBL48403 | [7-Chloro-3-(5-cyclopropyl-[1,2,4]ox...)
Show SMILES Clc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2
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2n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]Fnz in alpha-1-beta-2-gamma-2 subtype was measured


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM24226
PNG
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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2.09n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human H1R expressed in Sf9 cells co-expressing RGS4 after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 6274-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.001
BindingDB Entry DOI: 10.7270/Q28K7BB7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091383
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-propan...)
Show SMILES CCC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H19N3O2/c1-2-15(18-19)12-5-7-14(8-6-12)20-9-3-4-13-10-16-11-17-13/h5-8,10-11,15H,2-4,9H2,1H3,(H,16,17)
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2.20n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406643
PNG
(CHEMBL73994)
Show SMILES Ic1cccc(c1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:32.35|
Show InChI InChI=1S/C26H33IN6O2/c27-23-9-5-8-22(18-23)25(34)29-12-13-31-26(32-20-28)30-11-6-16-35-24-10-4-7-21(17-24)19-33-14-2-1-3-15-33/h4-5,7-10,17-18H,1-3,6,11-16,19H2,(H,29,34)(H2,30,31,32)
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2.60n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL




J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50040722
PNG
(1-[3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imid...)
Show SMILES CC(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1
Show InChI InChI=1S/C17H15N5O2/c1-10(23)21-8-14-15(16-19-17(24-20-16)11-6-7-11)18-9-22(14)13-5-3-2-4-12(13)21/h2-5,9,11H,6-8H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091389
PNG
(4-[3-(1H-Imidazol-4-yl)-propoxy]-benzoic acid meth...)
Show SMILES COC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2O3/c1-18-14(17)11-4-6-13(7-5-11)19-8-2-3-12-9-15-10-16-12/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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2.80n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86174
PNG
(CAS_486-12-4 | NSC_5282443 | Triprolidine)
Show SMILES Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1 |w:8.9|
Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3
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3.01n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1104-15 (2003)


Article DOI: 10.1124/jpet.103.049619
BindingDB Entry DOI: 10.7270/Q2HM5708
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048855
PNG
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)
Show SMILES CN(C)C(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1
Show InChI InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50048837
PNG
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-5-isopropy...)
Show SMILES CC(C)n1c2ccccc2n2cnc(-c3noc(n3)C3CC3)c2c1=O
Show InChI InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL




J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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4n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
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