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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50086072   
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))
BDBM50086072
PNG
(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O2/c1-14-5-6-17(11-18(14)16-4-3-8-27-13-16)28-22(30)29-9-7-15-10-21(31-2)19(12-20(15)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)
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MMDB

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PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of heterologously expressed human cytochrome P450 1A2.


J Med Chem 43: 1123-34 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23X85V5
More data for this
Ligand-Target Pair