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3 similar compounds to monomer 50434335

Compile data set for download or QSAR
Wt: 435.5
BDBM50434334
Wt: 433.6
BDBM50434336
Wt: 449.6
BDBM50434337

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50434334,50434336,50434337   
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))
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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Article
PubMed
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))
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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US Patent
0.0320 -14.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
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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US Patent
0.0500 -14.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
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
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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Article
PubMed
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
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
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
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PC sid
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US Patent
0.324 -12.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair