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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM50170126'   
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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50170126
PNG
(CHEMBL3805361)
Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1
Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16-/m0/s1
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Article
PubMed
22n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-PI294 from human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incuba...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50170126
PNG
(CHEMBL3805361)
Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1
Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16-/m0/s1
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Article
PubMed
99n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-PI294 from human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incuba...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50170126
PNG
(CHEMBL3805361)
Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1
Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16-/m0/s1
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Article
PubMed
n/an/an/an/a 25n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human SF-His6-tagged histamine H4 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated response incu...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50170126
PNG
(CHEMBL3805361)
Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1
Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16-/m0/s1
Reactome pathway
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PC sid
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Article
PubMed
n/an/an/an/a 14n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50170126
PNG
(CHEMBL3805361)
Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1
Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair