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SMILES: CC1(C)CC[C@@H](COc2ccc(OC(F)(F)F)cc2)[C@H](Cn2cncn2)\C1=N/O

InChI Key: InChIKey=FGDNFPNCPQBSPZ-MHDFOHGKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215881   
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
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50215881
PNG
(CHEMBL415955 | Ro-092385)
Show SMILES CC1(C)CC[C@@H](COc2ccc(OC(F)(F)F)cc2)[C@H](Cn2cncn2)\C1=N/O
Show InChI InChI=1S/C19H23F3N4O3/c1-18(2)8-7-13(16(17(18)25-27)9-26-12-23-11-24-26)10-28-14-3-5-15(6-4-14)29-19(20,21)22/h3-6,11-13,16,27H,7-10H2,1-2H3/b25-17+/t13-,16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.0540n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005

Bioorg Med Chem Lett 8: 1819-24 (1998)


BindingDB Entry DOI: 10.7270/Q2H997D2
More data for this
Ligand-Target Pair