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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 monooxygenase BM3 (BM3 DM)' AND taxid = 1348623   
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
Cytochrome P450 monooxygenase BM3 (BM3 DM)


(Bacillus megaterium)
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 212n/an/an/an/an/a



University of Manchester



Assay Description
Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...


J Biol Chem 288: 25387-99 (2013)


Article DOI: 10.1074/jbc.M113.479717
BindingDB Entry DOI: 10.7270/Q2SB44MF
More data for this
Ligand-Target Pair
Cytochrome P450 monooxygenase BM3 (BM3 DM)


(Bacillus megaterium)
BDBM212439
PNG
(N-palmitoylglycine (NPG))
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(O)=O
Show InChI InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)
PDB

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 4n/an/an/an/an/a



University of Manchester



Assay Description
Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...


J Biol Chem 288: 25387-99 (2013)


Article DOI: 10.1074/jbc.M113.479717
BindingDB Entry DOI: 10.7270/Q2SB44MF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)