BindingDB logo
myBDB logout

8 similar compounds to monomer 50298904

Wt: 418.4
BDBM50298897
Wt: 434.4
BDBM50298898
Wt: 448.4
BDBM50298899
Wt: 448.4
BDBM50298900
Wt: 448.4
BDBM50298901
Wt: 464.4
BDBM50298902
Wt: 462.4
BDBM50298905
Wt: 476.4
BDBM50298906

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50298897,50298898,50298899,50298900,50298901,50298902,50298905,50298906   
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))
BDBM50298897
PNG
(CHEMBL573828 | N-(2-(3-methyl-2-oxo-7-(3-(trifluor...)
Show SMILES CC(=O)NCCn1c2cc(NCc3cccc(c3)C(F)(F)F)ccc2nc(C)c1=O
Show InChI InChI=1S/C21H21F3N4O2/c1-13-20(30)28(9-8-25-14(2)29)19-11-17(6-7-18(19)27-13)26-12-15-4-3-5-16(10-15)21(22,23)24/h3-7,10-11,26H,8-9,12H2,1-2H3,(H,25,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 162n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Rattus norvegicus (Rat))
BDBM50298898
PNG
(2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluorometh...)
Show SMILES Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O
Show InChI InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Rattus norvegicus (Rat))
BDBM50298899
PNG
((S)-2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoro...)
Show SMILES C[C@H](O)C(=O)NCCn1c2cc(NCc3cccc(c3)C(F)(F)F)ccc2nc(C)c1=O
Show InChI InChI=1S/C22H23F3N4O3/c1-13-21(32)29(9-8-26-20(31)14(2)30)19-11-17(6-7-18(19)28-13)27-12-15-4-3-5-16(10-15)22(23,24)25/h3-7,10-11,14,27,30H,8-9,12H2,1-2H3,(H,26,31)/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Rattus norvegicus (Rat))
BDBM50298900
PNG
((R)-2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoro...)
Show SMILES C[C@@H](O)C(=O)NCCn1c2cc(NCc3cccc(c3)C(F)(F)F)ccc2nc(C)c1=O
Show InChI InChI=1S/C22H23F3N4O3/c1-13-21(32)29(9-8-26-20(31)14(2)30)19-11-17(6-7-18(19)28-13)27-12-15-4-3-5-16(10-15)22(23,24)25/h3-7,10-11,14,27,30H,8-9,12H2,1-2H3,(H,26,31)/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Rattus norvegicus (Rat))
BDBM50298901
PNG
(3-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluorometh...)
Show SMILES Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CCO)c1=O
Show InChI InChI=1S/C22H23F3N4O3/c1-14-21(32)29(9-8-26-20(31)7-10-30)19-12-17(5-6-18(19)28-14)27-13-15-3-2-4-16(11-15)22(23,24)25/h2-6,11-12,27,30H,7-10,13H2,1H3,(H,26,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

More data for this
Ligand-Target Pair
Fatty acid desaturase 2


(Rattus norvegicus)
BDBM50298898
PNG
(2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluorometh...)
Show SMILES Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O
Show InChI InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta6 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Rattus norvegicus (Rat))
BDBM50298905
PNG
(2-hydroxy-N-(2-(3-isopropyl-2-oxo-7-(3-(trifluorom...)
Show SMILES CC(C)c1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O
Show InChI InChI=1S/C23H25F3N4O3/c1-14(2)21-22(33)30(9-8-27-20(32)13-31)19-11-17(6-7-18(19)29-21)28-12-15-4-3-5-16(10-15)23(24,25)26/h3-7,10-11,14,28,31H,8-9,12-13H2,1-2H3,(H,27,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Rattus norvegicus (Rat))
BDBM50298906
PNG
(CHEMBL574943 | N-(2-(3-tert-butyl-2-oxo-7-(3-(trif...)
Show SMILES CC(C)(C)c1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O
Show InChI InChI=1S/C24H27F3N4O3/c1-23(2,3)21-22(34)31(10-9-28-20(33)14-32)19-12-17(7-8-18(19)30-21)29-13-15-5-4-6-16(11-15)24(25,26)27/h4-8,11-12,29,32H,9-10,13-14H2,1-3H3,(H,28,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Homo sapiens (Human))
BDBM50298898
PNG
(2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluorometh...)
Show SMILES Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O
Show InChI InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in human HepG2 cells


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Homo sapiens (Human))
BDBM50298902
PNG
((+/-)-2,3-dihydroxy-N-(2-(3-methyl-2-oxo-7-(3-(tri...)
Show SMILES Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)C(O)CO)c1=O
Show InChI InChI=1S/C22H23F3N4O4/c1-13-21(33)29(8-7-26-20(32)19(31)12-30)18-10-16(5-6-17(18)28-13)27-11-14-3-2-4-15(9-14)22(23,24)25/h2-6,9-10,19,27,30-31H,7-8,11-12H2,1H3,(H,26,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in human HepG2 cells


Bioorg Med Chem Lett 19: 4070-4 (2009)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50298898
PNG
(2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluorometh...)
Show SMILES Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O
Show InChI InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta5 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

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


(Rattus norvegicus (Rat))
BDBM50298902
PNG
((+/-)-2,3-dihydroxy-N-(2-(3-methyl-2-oxo-7-(3-(tri...)
Show SMILES Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)C(O)CO)c1=O
Show InChI InChI=1S/C22H23F3N4O4/c1-13-21(33)29(8-7-26-20(32)19(31)12-30)18-10-16(5-6-17(18)28-13)27-11-14-3-2-4-15(9-14)22(23,24)25/h2-6,9-10,19,27,30-31H,7-8,11-12H2,1H3,(H,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 268n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)

More data for this
Ligand-Target Pair