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BDBM50305760 3-(1H-imidazol-1-yl)-6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)pyridazine::CHEMBL595154

SMILES: FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1

InChI Key: InChIKey=PHVWYDDIUNHCKW-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50305760   
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))
BDBM50305760
PNG
(3-(1H-imidazol-1-yl)-6-(4-(2-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-4-16(15)28-14-7-10-26(11-8-14)17-5-6-18(25-24-17)27-12-9-23-13-27/h1-6,9,12-14H,7-8,10-11H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50305760
PNG
(3-(1H-imidazol-1-yl)-6-(4-(2-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-4-16(15)28-14-7-10-26(11-8-14)17-5-6-18(25-24-17)27-12-9-23-13-27/h1-6,9,12-14H,7-8,10-11H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50305760
PNG
(3-(1H-imidazol-1-yl)-6-(4-(2-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-4-16(15)28-14-7-10-26(11-8-14)17-5-6-18(25-24-17)27-12-9-23-13-27/h1-6,9,12-14H,7-8,10-11H2
PDB
MMDB

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UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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