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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 Receptor' and Monomerid = 50073179   
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 H1 receptor


(Homo sapiens (Human))
BDBM50073179
PNG
(8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1
Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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Article
PubMed
0.970n/an/an/an/an/an/an/an/a



UCB Research

Curated by ChEMBL


Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 14: 5591-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50073179
PNG
(8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1
Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50073179
PNG
(8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1
Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


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US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


US Patent US9333199 (2016)


BindingDB Entry DOI: 10.7270/Q2639NMV
More data for this
Ligand-Target Pair