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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50394714'   
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 H2 receptor


(Homo sapiens (Human))
BDBM50394714
PNG
(CHEMBL2165646)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCc1ccccc1 |w:10.10|
Show InChI InChI=1S/C17H23N5OS/c1-12-14(24-17(19)21-12)8-5-11-20-16(18)22-15(23)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H2,19,21)(H3,18,20,22,23)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20.4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay


J Med Chem 55: 1147-60 (2012)


Article DOI: 10.1021/jm201128q
BindingDB Entry DOI: 10.7270/Q2HQ411W
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50394714
PNG
(CHEMBL2165646)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCc1ccccc1 |w:10.10|
Show InChI InChI=1S/C17H23N5OS/c1-12-14(24-17(19)21-12)8-5-11-20-16(18)22-15(23)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H2,19,21)(H3,18,20,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15.8n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay


J Med Chem 55: 1147-60 (2012)


Article DOI: 10.1021/jm201128q
BindingDB Entry DOI: 10.7270/Q2HQ411W
More data for this
Ligand-Target Pair