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BDBM50306128 1-(pyridin-3-ylmethyl)-3-(6-(5-(trifluoromethyl)spiro[chroman-2,4'-piperidine]-1'-yl)pyridazin-3-yl)urea::CHEMBL606037

SMILES: FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(NC(=O)NCc4cccnc4)nn3)CCc12

InChI Key: InChIKey=MUKSRTNWEITUID-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50306128   
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


(Homo sapiens (Human))
BDBM50306128
PNG
(1-(pyridin-3-ylmethyl)-3-(6-(5-(trifluoromethyl)sp...)
Show SMILES FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(NC(=O)NCc4cccnc4)nn3)CCc12
Show InChI InChI=1S/C25H25F3N6O2/c26-25(27,28)19-4-1-5-20-18(19)8-9-24(36-20)10-13-34(14-11-24)22-7-6-21(32-33-22)31-23(35)30-16-17-3-2-12-29-15-17/h1-7,12,15H,8-11,13-14,16H2,(H2,30,31,32,35)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human 293A cells assessed as conversion of [14C]stearate to [14C]oleate after 60 mins in presence of S9 microsomal fraction


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50306128
PNG
(1-(pyridin-3-ylmethyl)-3-(6-(5-(trifluoromethyl)sp...)
Show SMILES FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(NC(=O)NCc4cccnc4)nn3)CCc12
Show InChI InChI=1S/C25H25F3N6O2/c26-25(27,28)19-4-1-5-20-18(19)8-9-24(36-20)10-13-34(14-11-24)22-7-6-21(32-33-22)31-23(35)30-16-17-3-2-12-29-15-17/h1-7,12,15H,8-11,13-14,16H2,(H2,30,31,32,35)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 106n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in human 293A cells assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306128
PNG
(1-(pyridin-3-ylmethyl)-3-(6-(5-(trifluoromethyl)sp...)
Show SMILES FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(NC(=O)NCc4cccnc4)nn3)CCc12
Show InChI InChI=1S/C25H25F3N6O2/c26-25(27,28)19-4-1-5-20-18(19)8-9-24(36-20)10-13-34(14-11-24)22-7-6-21(32-33-22)31-23(35)30-16-17-3-2-12-29-15-17/h1-7,12,15H,8-11,13-14,16H2,(H2,30,31,32,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair