BindingDB logo
myBDB logout

null

SMILES: FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ncc(s3)C#N)Oc3ccccc23)c1

InChI Key: InChIKey=SXXCTLCXNYGFRR-UHFFFAOYSA-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 = 50425256   
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
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50425256
PNG
(CHEMBL2315179)
Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ncc(s3)C#N)Oc3ccccc23)c1
Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)19-5-3-4-18(14-19)17-32-13-10-24(33-22-7-2-1-6-21(22)32)8-11-31(12-9-24)23-30-16-20(15-29)34-23/h1-7,14,16H,8-13,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 by rat microsomal assay

Bioorg Med Chem Lett 23: 791-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6
More data for this
Ligand-Target Pair