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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 21360   
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 1A2


(Homo sapiens (Human))
BDBM21360
PNG
(7-ethoxy-3H-phenoxazin-3-one | 7-ethoxyresorufin |...)
Show SMILES CCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
PDB
MMDB

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MCE
KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 53: 7129-39 (2010)


Article DOI: 10.1021/jm100832d
BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM21360
PNG
(7-ethoxy-3H-phenoxazin-3-one | 7-ethoxyresorufin |...)
Show SMILES CCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair