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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 = 'BDBM50394711'   
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))
BDBM50394711
PNG
(CHEMBL2165638)
Show SMILES Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1
Show InChI InChI=1S/C30H52N10O2S2/c31-27(35-19-13-15-23-21-37-29(33)43-23)39-25(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-26(42)40-28(32)36-20-14-16-24-22-38-30(34)44-24/h21-22H,1-20H2,(H2,33,37)(H2,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 93.3n/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))
BDBM50394711
PNG
(CHEMBL2165638)
Show SMILES Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1
Show InChI InChI=1S/C30H52N10O2S2/c31-27(35-19-13-15-23-21-37-29(33)43-23)39-25(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-26(42)40-28(32)36-20-14-16-24-22-38-30(34)44-24/h21-22H,1-20H2,(H2,33,37)(H2,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 58.9n/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