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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50179338   
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 1B1


(Homo sapiens (Human))
BDBM50179338
PNG
(CHEMBL3814495)
Show SMILES [O-][N+](=O)c1ccc(cc1)\N=N\N1CCOCC1
Show InChI InChI=1S/C10H12N4O3/c15-14(16)10-3-1-9(2-4-10)11-12-13-5-7-17-8-6-13/h1-4H,5-8H2/b12-11+
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Whittier College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...


Bioorg Med Chem Lett 26: 3243-3247 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.064
BindingDB Entry DOI: 10.7270/Q2XG9T1M
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50179338
PNG
(CHEMBL3814495)
Show SMILES [O-][N+](=O)c1ccc(cc1)\N=N\N1CCOCC1
Show InChI InChI=1S/C10H12N4O3/c15-14(16)10-3-1-9(2-4-10)11-12-13-5-7-17-8-6-13/h1-4H,5-8H2/b12-11+
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.15E+5n/an/an/an/an/an/a



Whittier College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...


Bioorg Med Chem Lett 26: 3243-3247 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.064
BindingDB Entry DOI: 10.7270/Q2XG9T1M
More data for this
Ligand-Target Pair