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3 similar compounds to monomer 22913

Compile data set for download or QSAR
Wt: 322.8
BDBM50414375
Wt: 367.3
BDBM50414376
Wt: 302.4
BDBM50414378

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50414375,50414376,50414378   
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))
BDBM50414376
PNG
(CHEMBL561250)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Br)cc1
Show InChI InChI=1S/C15H19BrN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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Article
PubMed
7.94n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414375
PNG
(CHEMBL1202322)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H19ClN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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Article
PubMed
10n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414378
PNG
(CHEMBL1202320)
Show SMILES Cc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H22N4S/c1-13-4-6-14(7-5-13)8-9-19-16(17)21-10-2-3-15-11-18-12-20-15/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)
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Article
PubMed
12.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414375
PNG
(CHEMBL1202322)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H19ClN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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PC cid
PC sid
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Article
PubMed
31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414376
PNG
(CHEMBL561250)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Br)cc1
Show InChI InChI=1S/C15H19BrN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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PC cid
PC sid
UniChem

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Article
PubMed
39.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414378
PNG
(CHEMBL1202320)
Show SMILES Cc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H22N4S/c1-13-4-6-14(7-5-13)8-9-19-16(17)21-10-2-3-15-11-18-12-20-15/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair