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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM86737'   
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


(Cavia porcellus (domestic guinea pig))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
72n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 468n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair