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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50403966'   
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))
BDBM50403966
PNG
(CHEMBL82714)
Show SMILES CN(C)CC1(C)CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-20(14-21(2)3)13-19-17-10-6-4-8-15(17)12-16-9-5-7-11-18(16)22(19)23-20/h4-11,19H,12-14H2,1-3H3
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50403966
PNG
(CHEMBL82714)
Show SMILES CN(C)CC1(C)CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-20(14-21(2)3)13-19-17-10-6-4-8-15(17)12-16-9-5-7-11-18(16)22(19)23-20/h4-11,19H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair