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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 50002206,5374   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50330386
PNG
(4-(4'-hydroxy-phenylamino)-4-oxo propanoic acid | ...)
Show SMILES OC(=O)CCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
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PC cid
PC sid
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Article
PubMed
n/an/an/a 2.25E+3n/an/an/an/an/a



Instituto Politécnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human CYP1A1


Eur J Med Chem 45: 4845-55 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.055
BindingDB Entry DOI: 10.7270/Q2862GPP
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50330387
PNG
(1H-pyrrolidine-1-(4'-hydroxyphenyl)-2,5-dione | CH...)
Show SMILES Oc1ccc(O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C10H9NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12-14H
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Article
PubMed
n/an/an/a 1.35E+4n/an/an/an/an/a



Instituto Politécnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human CYP1A1


Eur J Med Chem 45: 4845-55 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.055
BindingDB Entry DOI: 10.7270/Q2862GPP
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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MMDB
PC cid
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PDB
UniChem

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Article
PubMed
n/an/an/a 1.91E+4n/an/an/an/an/a



Instituto Politécnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human CYP1A1


Eur J Med Chem 45: 4845-55 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.055
BindingDB Entry DOI: 10.7270/Q2862GPP
More data for this
Ligand-Target Pair