BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Fatty acid desaturase 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid desaturase 2


(Homo sapiens)
BDBM50312701
PNG
(5-methyl-3-(2-(4-(2-(trifluoromethyl)phenoxy)piper...)
Show SMILES Cc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of delta6 desaturase in human HepG2 cells assessed as [14C]linolenic acid to [14C]eicosatetraenoic acid conversion pretreated 15 mins befo...


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


(Homo sapiens)
BDBM50301057
PNG
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
Show SMILES NC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to delta-6 saturase in human HepG2 cells by whole cell assay


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


(Homo sapiens)
BDBM50364036
PNG
(CHEMBL1950546)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1
Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of delta-6 desaturase expressed in HepG2 cells


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


(Homo sapiens)
BDBM50362583
PNG
(CHEMBL1938871)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl
Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta-6 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer


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


(Homo sapiens)
BDBM50305768
PNG
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
Show SMILES Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells


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


(Homo sapiens)
BDBM50393166
PNG
(CHEMBL2153601)
Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C16H15BrFN7O3S/c17-11-2-1-9(18)7-12(11)28-10-3-5-24(6-4-10)16-21-20-15(29-16)14-19-23-25(22-14)8-13(26)27/h1-2,7,10H,3-6,8H2,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells


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


(Homo sapiens)
BDBM50393165
PNG
(CHEMBL2153600)
Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1
Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells


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


(Homo sapiens)
BDBM50362592
PNG
(CHEMBL1938870)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells


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


(Homo sapiens)
BDBM50393164
PNG
(CHEMBL2153599)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nnc(s1)-c1nnn[nH]1
Show InChI InChI=1S/C15H14F3N7OS/c16-15(17,18)10-3-1-2-4-11(10)26-9-5-7-25(8-6-9)14-22-21-13(27-14)12-19-23-24-20-12/h1-4,9H,5-8H2,(H,19,20,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells


Citation and Details
More data for this
Ligand-Target Pair