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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase 5' 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
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50364012
PNG
(CHEMBL1950397)
Show SMILES OC(=O)c1cncc(c1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C21H18BrFN4O3/c22-17-2-1-15(23)10-19(17)30-16-5-7-27(8-6-16)20-4-3-18(25-26-20)13-9-14(21(28)29)12-24-11-13/h1-4,9-12,16H,5-8H2,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(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)
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n/an/a 32n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(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)
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n/an/a 242n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD-5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329985
PNG
(2-(3'-chlorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-b...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H15ClN2O2S/c1-26(24,25)17-9-10-18-19(12-17)23-20(22-18)14-7-5-13(6-8-14)15-3-2-4-16(21)11-15/h2-12H,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329984
PNG
(2-(biphenyl-4-yl)-6-(methylsulfonyl)-1H-benzo[d]im...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-25(23,24)17-11-12-18-19(13-17)22-20(21-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,21,22)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329967
PNG
(6-(ethylsulfonyl)-2-(2'-fluorobiphenyl-4-yl)-1H-be...)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)16-11-12-19-20(13-16)24-21(23-19)15-9-7-14(8-10-15)17-5-3-4-6-18(17)22/h3-13H,2H2,1H3,(H,23,24)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329970
PNG
(4'-(6-(methylsulfonyl)-1H-benzo[d]imidazol-2-yl)bi...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H16N2O3S/c1-26(24,25)17-10-11-18-19(12-17)22-20(21-18)15-4-2-13(3-5-15)14-6-8-16(23)9-7-14/h2-12,23H,1H3,(H,21,22)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329971
PNG
(4'-(6-(methylsulfonyl)-1H-benzo[d]imidazol-2-yl)bi...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C20H16N2O3S/c1-26(24,25)17-9-10-18-19(12-17)22-20(21-18)14-7-5-13(6-8-14)15-3-2-4-16(23)11-15/h2-12,23H,1H3,(H,21,22)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329972
PNG
(2-(3'-fluorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-b...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1cccc(F)c1
Show InChI InChI=1S/C20H15FN2O2S/c1-26(24,25)17-9-10-18-19(12-17)23-20(22-18)14-7-5-13(6-8-14)15-3-2-4-16(21)11-15/h2-12H,1H3,(H,22,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329973
PNG
(2-(2'-chlorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-b...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1Cl
Show InChI InChI=1S/C20H15ClN2O2S/c1-26(24,25)15-10-11-18-19(12-15)23-20(22-18)14-8-6-13(7-9-14)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329975
PNG
(6-(methylsulfonyl)-2-(4-(pyridin-4-yl)phenyl)-1H-b...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C19H15N3O2S/c1-25(23,24)16-6-7-17-18(12-16)22-19(21-17)15-4-2-13(3-5-15)14-8-10-20-11-9-14/h2-12H,1H3,(H,21,22)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329976
PNG
(6-(methylsulfonyl)-2-(4-(pyridin-2-yl)phenyl)-1H-b...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C19H15N3O2S/c1-25(23,24)15-9-10-17-18(12-15)22-19(21-17)14-7-5-13(6-8-14)16-4-2-3-11-20-16/h2-12H,1H3,(H,21,22)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329977
PNG
(2-(4-(furan-3-yl)phenyl)-6-(methylsulfonyl)-1H-ben...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccoc1
Show InChI InChI=1S/C18H14N2O3S/c1-24(21,22)15-6-7-16-17(10-15)20-18(19-16)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-11H,1H3,(H,19,20)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329978
PNG
(6-(methylsulfonyl)-2-(4-(thiophen-2-yl)phenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C18H14N2O2S2/c1-24(21,22)14-8-9-15-16(11-14)20-18(19-15)13-6-4-12(5-7-13)17-3-2-10-23-17/h2-11H,1H3,(H,19,20)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329979
PNG
(2-(2'-fluorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-i...)
Show SMILES CS(=O)(=O)c1cnc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C19H14FN3O2S/c1-26(24,25)14-10-17-19(21-11-14)23-18(22-17)13-8-6-12(7-9-13)15-4-2-3-5-16(15)20/h2-11H,1H3,(H,21,22,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329986
PNG
(6-tert-butyl-2-(2'-fluorobiphenyl-4-yl)-1H-benzo[d...)
Show SMILES CC(C)(C)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H21FN2/c1-23(2,3)17-12-13-20-21(14-17)26-22(25-20)16-10-8-15(9-11-16)18-6-4-5-7-19(18)24/h4-14H,1-3H3,(H,25,26)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329966
PNG
(2-(2'-fluorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-b...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C20H15FN2O2S/c1-26(24,25)15-10-11-18-19(12-15)23-20(22-18)14-8-6-13(7-9-14)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329965
PNG
(2-(2'-fluorobiphenyl-4-yl)-6-(methylsulfinyl)-1H-b...)
Show SMILES CS(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C20H15FN2OS/c1-25(24)15-10-11-18-19(12-15)23-20(22-18)14-8-6-13(7-9-14)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329964
PNG
(2-(2'-fluorobiphenyl-4-yl)-1H-benzo[d]imidazole-6-...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C19H14FN3O2S/c20-16-4-2-1-3-15(16)12-5-7-13(8-6-12)19-22-17-10-9-14(26(21,24)25)11-18(17)23-19/h1-11H,(H,22,23)(H2,21,24,25)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329963
PNG
(2-(2'-fluorobiphenyl-4-yl)-1H-benzo[d]imidazole-6-...)
Show SMILES Fc1ccccc1-c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C20H12FN3/c21-17-4-2-1-3-16(17)14-6-8-15(9-7-14)20-23-18-10-5-13(12-22)11-19(18)24-20/h1-11H,(H,23,24)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329988
PNG
(2-(biphenyl-4-yl)-7-(methylsulfonyl)imidazo[1,2-a]...)
Show SMILES CS(=O)(=O)c1ccn2cc(nc2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-25(23,24)18-11-12-22-14-19(21-20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 5


(Homo sapiens)
BDBM50329991
PNG
(2-(6-(2-fluorophenyl)pyridin-3-yl)-6-(methylsulfon...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(nc1)-c1ccccc1F
Show InChI InChI=1S/C19H14FN3O2S/c1-26(24,25)13-7-9-17-18(10-13)23-19(22-17)12-6-8-16(21-11-12)14-4-2-3-5-15(14)20/h2-11H,1H3,(H,22,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human SCD5


Citation and Details
More data for this
Ligand-Target Pair