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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50086059   
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))		BDBM50086059
PNG
(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccncc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-30-19-9-14-4-7-28(18(14)10-17(19)21(22,23)24)20(29)27-16-8-15(11-26-12-16)13-2-5-25-6-3-13/h2-3,5-6,8-12H,4,7H2,1H3,(H,27,29)
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PubMed
n/an/a 5.00E+4n/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