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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'banik' and Initial = 'r'   
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))
BDBM50242173
PNG
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Show SMILES O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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MCE
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PC cid
PC sid
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Article
PubMed
2.54E+4n/an/an/an/an/an/an/an/a



Department of Chemistry, Tripura University, Suryamaninagar 799022, Tripura, India. Electronic address: dindabtu@gmail.com.

Curated by ChEMBL


Assay Description
Mixed-type inhibition of CYP1A2 in pooled human liver microsomes using varying levels of phenacetin as substrate pretreated for 5 mins followed by su...


Eur J Med Chem 131: 68-80 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.004
BindingDB Entry DOI: 10.7270/Q2R49T6V
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Department of Chemistry, Tripura University, Suryamaninagar 799022, Tripura, India. Electronic address: dindabtu@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using 7-benzyloxy-4-trifluoromethylcoumarin as substrate measured after 45 ...


Eur J Med Chem 131: 68-80 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.004
BindingDB Entry DOI: 10.7270/Q2R49T6V
More data for this
Ligand-Target Pair