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SMILES: CO\N=C1/[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(F)(F)F)cc2)CCC1(C)C

InChI Key: InChIKey=SDSXDFPBKDFDPM-OUVMHPDLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215879   
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))		BDBM50215879
PNG
(CHEMBL415943 | Ro-092435)
Show SMILES CO\N=C1/[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(F)(F)F)cc2)CCC1(C)C
Show InChI InChI=1S/C20H25F3N4O3/c1-19(2)9-8-14(17(18(19)26-28-3)10-27-13-24-12-25-27)11-29-15-4-6-16(7-5-15)30-20(21,22)23/h4-7,12-14,17H,8-11H2,1-3H3/b26-18+/t14-,17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0240n/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