BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 40 hits from CV Therapeutics, Inc   
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))
BDBM50259220
PNG
(CHEMBL467091 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCC(=O)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C16H12Cl2N4O3/c17-12-2-1-9(3-13(12)18)6-22-8-20-15-11(16(22)25)4-10(5-19-15)21-14(24)7-23/h1-5,8,23H,6-7H2,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259134
PNG
(CHEMBL466720 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)COc4ccccc4)cc3c2=O)cc1Cl
Show InChI InChI=1S/C23H17Cl2N3O3/c24-19-8-6-15(10-20(19)25)12-28-14-26-21-9-7-16(11-18(21)23(28)30)27-22(29)13-31-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259176
PNG
(CHEMBL466257 | N-(3-(4-chlorobenzyl)-4-oxo-3,4-dih...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1
Show InChI InChI=1S/C17H14ClN3O3/c18-12-3-1-11(2-4-12)8-21-10-19-15-6-5-13(20-16(23)9-22)7-14(15)17(21)24/h1-7,10,22H,8-9H2,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259177
PNG
(CHEMBL466674 | N-(3-(4-chloro-3-(trifluoromethyl)b...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(c3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C18H13ClF3N3O3/c19-14-3-1-10(5-13(14)18(20,21)22)7-25-9-23-15-4-2-11(24-16(27)8-26)6-12(15)17(25)28/h1-6,9,26H,7-8H2,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259217
PNG
(CHEMBL512969 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCC(=O)Nc1ccc2c(c1)ncn(Cc1ccc(Cl)c(Cl)c1)c2=O
Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-4-1-10(5-14(13)19)7-22-9-20-15-6-11(21-16(24)8-23)2-3-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259177
PNG
(CHEMBL466674 | N-(3-(4-chloro-3-(trifluoromethyl)b...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(c3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C18H13ClF3N3O3/c19-14-3-1-10(5-13(14)18(20,21)22)7-25-9-23-15-4-2-11(24-16(27)8-26)6-12(15)17(25)28/h1-6,9,26H,7-8H2,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259088
PNG
(CHEMBL466313 | benzyl 3-(3,4-dichlorobenzyl)-4-oxo...)
Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1Cl
Show InChI InChI=1S/C23H17Cl2N3O3/c24-19-8-6-16(10-20(19)25)12-28-14-26-21-9-7-17(11-18(21)22(28)29)27-23(30)31-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 193n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259220
PNG
(CHEMBL467091 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCC(=O)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C16H12Cl2N4O3/c17-12-2-1-9(3-13(12)18)6-22-8-20-15-11(16(22)25)4-10(5-19-15)21-14(24)7-23/h1-5,8,23H,6-7H2,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 208n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259090
PNG
(CHEMBL466314 | benzyl 3-(3-chloro-4-fluorobenzyl)-...)
Show SMILES Fc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1Cl
Show InChI InChI=1S/C23H17ClFN3O3/c24-19-10-16(6-8-20(19)25)12-28-14-26-21-9-7-17(11-18(21)22(28)29)27-23(30)31-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259089
PNG
(CHEMBL512775 | benzyl 3-(4-chlorobenzyl)-4-oxo-3,4...)
Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1
Show InChI InChI=1S/C23H18ClN3O3/c24-18-8-6-16(7-9-18)13-27-15-25-21-11-10-19(12-20(21)22(27)28)26-23(29)30-14-17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259133
PNG
(CHEMBL466719 | benzyl 3-(3,4-dimethylbenzyl)-4-oxo...)
Show SMILES Cc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1C
Show InChI InChI=1S/C25H23N3O3/c1-17-8-9-20(12-18(17)2)14-28-16-26-23-11-10-21(13-22(23)24(28)29)27-25(30)31-15-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259088
PNG
(CHEMBL466313 | benzyl 3-(3,4-dichlorobenzyl)-4-oxo...)
Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1Cl
Show InChI InChI=1S/C23H17Cl2N3O3/c24-19-8-6-16(10-20(19)25)12-28-14-26-21-9-7-17(11-18(21)22(28)29)27-23(30)31-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259089
PNG
(CHEMBL512775 | benzyl 3-(4-chlorobenzyl)-4-oxo-3,4...)
Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1
Show InChI InChI=1S/C23H18ClN3O3/c24-18-8-6-16(7-9-18)13-27-15-25-21-11-10-19(12-20(21)22(27)28)26-23(29)30-14-17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259175
PNG
(CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 261n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259134
PNG
(CHEMBL466720 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)COc4ccccc4)cc3c2=O)cc1Cl
Show InChI InChI=1S/C23H17Cl2N3O3/c24-19-8-6-15(10-20(19)25)12-28-14-26-21-9-7-16(11-18(21)23(28)30)27-22(29)13-31-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259217
PNG
(CHEMBL512969 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCC(=O)Nc1ccc2c(c1)ncn(Cc1ccc(Cl)c(Cl)c1)c2=O
Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-4-1-10(5-14(13)19)7-22-9-20-15-6-11(21-16(24)8-23)2-3-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 348n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259133
PNG
(CHEMBL466719 | benzyl 3-(3,4-dimethylbenzyl)-4-oxo...)
Show SMILES Cc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1C
Show InChI InChI=1S/C25H23N3O3/c1-17-8-9-20(12-18(17)2)14-28-16-26-23-11-10-21(13-22(23)24(28)29)27-25(30)31-15-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259090
PNG
(CHEMBL466314 | benzyl 3-(3-chloro-4-fluorobenzyl)-...)
Show SMILES Fc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1Cl
Show InChI InChI=1S/C23H17ClFN3O3/c24-19-10-16(6-8-20(19)25)12-28-14-26-21-9-7-17(11-18(21)22(28)29)27-23(30)31-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 865n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259261
PNG
(2-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazo...)
Show SMILES OC(=O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H11Cl2N3O4/c18-12-3-1-9(5-13(12)19)7-22-8-20-14-4-2-10(6-11(14)16(22)24)21-15(23)17(25)26/h1-6,8H,7H2,(H,21,23)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259261
PNG
(2-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazo...)
Show SMILES OC(=O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H11Cl2N3O4/c18-12-3-1-9(5-13(12)19)7-22-8-20-14-4-2-10(6-11(14)16(22)24)21-15(23)17(25)26/h1-6,8H,7H2,(H,21,23)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259216
PNG
(CHEMBL466885 | N-(3-(biphenyl-3-ylmethyl)-4-oxo-3,...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3cccc(c3)-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C23H19N3O3/c27-14-22(28)25-19-9-10-21-20(12-19)23(29)26(15-24-21)13-16-5-4-8-18(11-16)17-6-2-1-3-7-17/h1-12,15,27H,13-14H2,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50259087
PNG
(CHEMBL467716 | benzyl 3-(3,4-dichlorobenzylcarbamo...)
Show SMILES Clc1ccc(CNC(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2cccnc2)cc1Cl
Show InChI InChI=1S/C27H21Cl2N3O4/c28-23-10-8-19(13-24(23)29)15-31-26(33)22-14-20(9-11-25(22)36-21-7-4-12-30-16-21)32-27(34)35-17-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,31,33)(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(9)-desaturase from human HepG2 cells


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259176
PNG
(CHEMBL466257 | N-(3-(4-chlorobenzyl)-4-oxo-3,4-dih...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1
Show InChI InChI=1S/C17H14ClN3O3/c18-12-3-1-11(2-4-12)8-21-10-19-15-6-5-13(20-16(23)9-22)7-14(15)17(21)24/h1-7,10,22H,8-9H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259178
PNG
(2-hydroxy-N-(4-oxo-3-(3-(trifluoromethyl)benzyl)-3...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3cccc(c3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C18H14F3N3O3/c19-18(20,21)12-3-1-2-11(6-12)8-24-10-22-15-5-4-13(23-16(26)9-25)7-14(15)17(24)27/h1-7,10,25H,8-9H2,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259259
PNG
(CHEMBL466889 | N-(3-(4-chlorobenzyl)-4-oxo-3,4-dih...)
Show SMILES OCC(=O)Nc1cnc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1
Show InChI InChI=1S/C16H13ClN4O3/c17-11-3-1-10(2-4-11)7-21-9-19-15-13(16(21)24)5-12(6-18-15)20-14(23)8-22/h1-6,9,22H,7-8H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.58E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259219
PNG
(CHEMBL467090 | N-(3-(3-chlorobenzyl)-4-oxo-3,4-dih...)
Show SMILES OCC(=O)Nc1ccc2c(c1)ncn(Cc1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C17H14ClN3O3/c18-12-3-1-2-11(6-12)8-21-10-19-15-7-13(20-16(23)9-22)4-5-14(15)17(21)24/h1-7,10,22H,8-9H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259218
PNG
(CHEMBL447081 | N-(3-(4-chlorobenzyl)-4-oxo-3,4-dih...)
Show SMILES OCC(=O)Nc1ccc2c(c1)ncn(Cc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C17H14ClN3O3/c18-12-3-1-11(2-4-12)8-21-10-19-15-7-13(20-16(23)9-22)5-6-14(15)17(21)24/h1-7,10,22H,8-9H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.12E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259087
PNG
(CHEMBL467716 | benzyl 3-(3,4-dichlorobenzylcarbamo...)
Show SMILES Clc1ccc(CNC(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2cccnc2)cc1Cl
Show InChI InChI=1S/C27H21Cl2N3O4/c28-23-10-8-19(13-24(23)29)15-31-26(33)22-14-20(9-11-25(22)36-21-7-4-12-30-16-21)32-27(34)35-17-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,31,33)(H,32,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259179
PNG
(2-hydroxy-N-(4-oxo-3-(4-(trifluoromethyl)benzyl)-3...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(cc3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C18H14F3N3O3/c19-18(20,21)12-3-1-11(2-4-12)8-24-10-22-15-6-5-13(23-16(26)9-25)7-14(15)17(24)27/h1-7,10,25H,8-9H2,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.42E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259216
PNG
(CHEMBL466885 | N-(3-(biphenyl-3-ylmethyl)-4-oxo-3,...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3cccc(c3)-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C23H19N3O3/c27-14-22(28)25-19-9-10-21-20(12-19)23(29)26(15-24-21)13-16-5-4-8-18(11-16)17-6-2-1-3-7-17/h1-12,15,27H,13-14H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.85E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259260
PNG
(CHEMBL466444 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES CC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H13Cl2N3O2/c1-10(23)21-12-3-5-16-13(7-12)17(24)22(9-20-16)8-11-2-4-14(18)15(19)6-11/h2-7,9H,8H2,1H3,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.86E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259135
PNG
(CHEMBL466524 | N-(3-(4-chlorobenzyl)-4-oxo-3,4-dih...)
Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)COc4ccccc4)cc3c2=O)cc1
Show InChI InChI=1S/C23H18ClN3O3/c24-17-8-6-16(7-9-17)13-27-15-25-21-11-10-18(12-20(21)23(27)29)26-22(28)14-30-19-4-2-1-3-5-19/h1-12,15H,13-14H2,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.97E+3n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259331
PNG
(CHEMBL466087 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C18H15Cl2N3O3/c19-14-3-1-11(7-15(14)20)9-23-10-21-16-4-2-12(8-13(16)18(23)26)22-17(25)5-6-24/h1-4,7-8,10,24H,5-6,9H2,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Mus musculus)
BDBM50259175
PNG
(CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(5)-desaturase in mouse ABMC7 cells by high throughput radioassay


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Mus musculus)
BDBM50259087
PNG
(CHEMBL467716 | benzyl 3-(3,4-dichlorobenzylcarbamo...)
Show SMILES Clc1ccc(CNC(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2cccnc2)cc1Cl
Show InChI InChI=1S/C27H21Cl2N3O4/c28-23-10-8-19(13-24(23)29)15-31-26(33)22-14-20(9-11-25(22)36-21-7-4-12-30-16-21)32-27(34)35-17-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,31,33)(H,32,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(5)-desaturase in mouse ABMC7 cells by high throughput radioassay


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259263
PNG
((R)-N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroqui...)
Show SMILES C[C@@H](O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C18H15Cl2N3O3/c1-10(24)17(25)22-12-3-5-16-13(7-12)18(26)23(9-21-16)8-11-2-4-14(19)15(20)6-11/h2-7,9-10,24H,8H2,1H3,(H,22,25)/t10-/m1/s1
PDB

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



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259262
PNG
((S)-N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroqui...)
Show SMILES C[C@H](O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C18H15Cl2N3O3/c1-10(24)17(25)22-12-3-5-16-13(7-12)18(26)23(9-21-16)8-11-2-4-14(19)15(20)6-11/h2-7,9-10,24H,8H2,1H3,(H,22,25)/t10-/m0/s1
PDB

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



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Fatty acid desaturase 2


(Mus musculus)
BDBM50259175
PNG
(CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(6)-desaturase in mouse ABMC7 cells by high throughput radioassay


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50259132
PNG
(CHEMBL466522 | benzyl 3-(2,4-dichlorobenzyl)-4-oxo...)
Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)c(Cl)c1
Show InChI InChI=1S/C23H17Cl2N3O3/c24-17-7-6-16(20(25)10-17)12-28-14-26-21-9-8-18(11-19(21)22(28)29)27-23(30)31-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,27,30)
PDB

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



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal delta(9)-desaturase


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair
Fatty acid desaturase 2


(Mus musculus)
BDBM50259087
PNG
(CHEMBL467716 | benzyl 3-(3,4-dichlorobenzylcarbamo...)
Show SMILES Clc1ccc(CNC(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2cccnc2)cc1Cl
Show InChI InChI=1S/C27H21Cl2N3O4/c28-23-10-8-19(13-24(23)29)15-31-26(33)22-14-20(9-11-25(22)36-21-7-4-12-30-16-21)32-27(34)35-17-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,31,33)(H,32,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(6)-desaturase in mouse ABMC7 cells by high throughput radioassay


Bioorg Med Chem Lett 19: 3050-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.004
BindingDB Entry DOI: 10.7270/Q2W095TX
More data for this
Ligand-Target Pair