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5 similar compounds to monomer 50305768

Wt: 437.4
BDBM50305773
Wt: 449.4
BDBM50305769
Wt: 463.5
BDBM50305770
Wt: 463.5
BDBM50305771
Wt: 423.4
BDBM50305772

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50305773,50305769,50305770,50305771,50305772   
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))
BDBM50305769
PNG
(2-isopropyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)pi...)
Show SMILES CC(C)c1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H22F3N5OS/c1-13(2)19-27-28-20(31-19)16-7-8-18(26-25-16)29-11-9-14(10-12-29)30-17-6-4-3-5-15(17)21(22,23)24/h3-8,13-14H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.80n/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)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305770
PNG
(2-isobutyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)pip...)
Show SMILES CC(C)Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N5OS/c1-14(2)13-20-28-29-21(32-20)17-7-8-19(27-26-17)30-11-9-15(10-12-30)31-18-6-4-3-5-16(18)22(23,24)25/h3-8,14-15H,9-13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 37n/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)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305773
PNG
((5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-y...)
Show SMILES OCc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O2S/c20-19(21,22)13-3-1-2-4-15(13)29-12-7-9-27(10-8-12)16-6-5-14(23-24-16)18-26-25-17(11-28)30-18/h1-6,12,28H,7-11H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.20n/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)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305772
PNG
(5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-c1n[nH]c(=O)s1
Show InChI InChI=1S/C18H16F3N5O2S/c19-18(20,21)12-3-1-2-4-14(12)28-11-7-9-26(10-8-11)15-6-5-13(22-23-15)16-24-25-17(27)29-16/h1-6,11H,7-10H2,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.10n/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)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305771
PNG
(2-tert-butyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)p...)
Show SMILES CC(C)(C)c1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N5OS/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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 710n/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)

More data for this
Ligand-Target Pair