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4 similar compounds to monomer 50343840

Compile data set for download or QSAR
Wt: 305.4
BDBM50343839
Wt: 237.2
BDBM50343844
Wt: 237.2
BDBM50343845
Wt: 223.2
BDBM50343848

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50343839,50343844,50343845,50343848   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50343839
PNG
((E)-3-(1H-Imidazol-4-yl)propyl3,7-dimethylocta-2,6...)
Show SMILES CC(C)=CCC\C(C)=C\CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H27N3O2/c1-14(2)6-4-7-15(3)9-10-19-17(21)22-11-5-8-16-12-18-13-20-16/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/b15-9+
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20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50343845
PNG
((Z)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C/CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3-
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27n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50343844
PNG
((E)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C\CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3+
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27n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)/b3-2+
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54n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)/b3-2+
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1.05E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)/b3-2+
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n/an/a 128n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343844
PNG
((E)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C\CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3+
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n/an/a 51n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50343845
PNG
((Z)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C/CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3-
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n/an/a 52n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50343845
PNG
((Z)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C/CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3-
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n/an/an/a 7.94E+4n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)/b3-2+
UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/an/a 6.92E+4n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair