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BDBM50305766 2-tert-butyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)pyridazin-3-yl)-1,3,4-oxadiazole::CHEMBL603645

SMILES: CC(C)(C)c1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F

InChI Key: InChIKey=KDUHEVQCHBFZGP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305766   
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
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305766
PNG
(2-tert-butyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)p...)
Show SMILES CC(C)(C)c1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O2/c1-21(2,3)20-29-28-19(32-20)16-8-9-18(27-26-16)30-12-10-14(11-13-30)31-17-7-5-4-6-15(17)22(23,24)25/h4-9,14H,10-13H2,1-3H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes


Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair