BindingDB logo
myBDB logout

null

SMILES: CCc1ccc(CC[C@@H]2CCC(C)(C)\C(=N\O)[C@H]2Cn2cncn2)cc1

InChI Key: InChIKey=FTTRWHVNEVKFFN-GJGXRYEFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215883   
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))		BDBM50215883
PNG
(CHEMBL53214 | Ro-092182)
Show SMILES CCc1ccc(CC[C@@H]2CCC(C)(C)\C(=N\O)[C@H]2Cn2cncn2)cc1
Show InChI InChI=1S/C21H30N4O/c1-4-16-5-7-17(8-6-16)9-10-18-11-12-21(2,3)20(24-26)19(18)13-25-15-22-14-23-25/h5-8,14-15,18-19,26H,4,9-13H2,1-3H3/b24-20+/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.0260n/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