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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine N-methyltransferase' and Monomerid = 50026331   
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 N-methyltransferase


(Homo sapiens (Human))
BDBM50026331
PNG
(2-Amino-4-[4-(6-amino-purin-9-yl)-2,3-dihydroxy-cy...)
Show SMILES NC(CCSCC1CC(C(O)C1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H22N6O4S/c16-8(15(24)25)1-2-26-4-7-3-9(12(23)11(7)22)21-6-20-10-13(17)18-5-19-14(10)21/h5-9,11-12,22-23H,1-4,16H2,(H,24,25)(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.04E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated against Histamine N-methyl-transferase


J Med Chem 28: 478-82 (1985)


Article DOI: 10.1021/jm00382a016
BindingDB Entry DOI: 10.7270/Q2WM1DZS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histamine N-methyltransferase


(Homo sapiens (Human))
BDBM50026331
PNG
(2-Amino-4-[4-(6-amino-purin-9-yl)-2,3-dihydroxy-cy...)
Show SMILES NC(CCSCC1CC(C(O)C1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H22N6O4S/c16-8(15(24)25)1-2-26-4-7-3-9(12(23)11(7)22)21-6-20-10-13(17)18-5-19-14(10)21/h5-9,11-12,22-23H,1-4,16H2,(H,24,25)(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.98E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated against Histamine N-methyl-transferase


J Med Chem 28: 478-82 (1985)


Article DOI: 10.1021/jm00382a016
BindingDB Entry DOI: 10.7270/Q2WM1DZS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)