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PubMed code 16730977

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50187891
PNG
(2-[(1E,3E)-5-[(2E)-1-[5-({2-[(Z)-[(cyanoamino)({3-...)
Show SMILES CC1(C)\C(=C/C=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN=C(NCCCOc2cccc(CN3CCCCC3)c2)NC#N)c2ccccc12 |w:5.4,7.6,39.40,c:9|
Show InChI InChI=1S/C54H72N8O5S/c1-53(2)45-24-11-13-26-47(45)61(49(53)28-8-5-9-29-50-54(3,4)46-25-12-14-27-48(46)62(50)37-18-19-39-68(64,65)66)36-17-6-10-30-51(63)56-32-33-58-52(59-42-55)57-31-21-38-67-44-23-20-22-43(40-44)41-60-34-15-7-16-35-60/h5,8-9,11-14,20,22-29,40H,6-7,10,15-19,21,30-39,41H2,1-4H3,(H3-,56,57,58,59,63,64,65,66)
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 160n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human H2R


Bioorg Med Chem Lett 16: 3886-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.039
BindingDB Entry DOI: 10.7270/Q2J102S2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50187891
PNG
(2-[(1E,3E)-5-[(2E)-1-[5-({2-[(Z)-[(cyanoamino)({3-...)
Show SMILES CC1(C)\C(=C/C=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN=C(NCCCOc2cccc(CN3CCCCC3)c2)NC#N)c2ccccc12 |w:5.4,7.6,39.40,c:9|
Show InChI InChI=1S/C54H72N8O5S/c1-53(2)45-24-11-13-26-47(45)61(49(53)28-8-5-9-29-50-54(3,4)46-25-12-14-27-48(46)62(50)37-18-19-39-68(64,65)66)36-17-6-10-30-51(63)56-32-33-58-52(59-42-55)57-31-21-38-67-44-23-20-22-43(40-44)41-60-34-15-7-16-35-60/h5,8-9,11-14,20,22-29,40H,6-7,10,15-19,21,30-39,41H2,1-4H3,(H3-,56,57,58,59,63,64,65,66)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 90n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig H2R


Bioorg Med Chem Lett 16: 3886-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.039
BindingDB Entry DOI: 10.7270/Q2J102S2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%