Compile Data Set for Download or QSAR
Found 27 of affinity data for UniProtKB/TrEMBL: Q9Y6N5
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579941(CHEMBL5082385)
Show SMILES COc1nc-2c(Cc3ccccc-23)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H14N2O/c1-23-20-17(12-21)18(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)19(16)22-20/h2-10H,11H2,1H3
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579936(CHEMBL5075881)
Show SMILES Fc1ccc(cc1)-c1cc(nc(OCC=C)c1C#N)-c1ccccn1
Show InChI InChI=1S/C20H14FN3O/c1-2-11-25-20-17(13-22)16(14-6-8-15(21)9-7-14)12-19(24-20)18-5-3-4-10-23-18/h2-10,12H,1,11H2
Affinity DataIC50: 5.5nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579935(CHEMBL5079537)
Show SMILES COc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ncccc1C
Show InChI InChI=1S/C19H14FN3O/c1-12-4-3-9-22-18(12)17-10-15(13-5-7-14(20)8-6-13)16(11-21)19(23-17)24-2/h3-10H,1-2H3
Affinity DataIC50: 8.70nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579940(CHEMBL5080702)
Show SMILES CCOc1nc-2c(Cc3ccccc-23)c(-c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C21H15FN2O/c1-2-25-21-18(12-23)19(13-7-9-15(22)10-8-13)17-11-14-5-3-4-6-16(14)20(17)24-21/h3-10H,2,11H2,1H3
Affinity DataIC50: 9.40nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579934(CHEMBL5078297)
Show SMILES COc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccn1
Show InChI InChI=1S/C18H12FN3O/c1-23-18-15(11-20)14(12-5-7-13(19)8-6-12)10-17(22-18)16-4-2-3-9-21-16/h2-10H,1H3
Affinity DataIC50: 14nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579921(CHEMBL5074290)
Show SMILES COc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C19H13FN2O/c1-23-19-17(12-21)16(13-7-9-15(20)10-8-13)11-18(22-19)14-5-3-2-4-6-14/h2-11H,1H3
Affinity DataIC50: 25nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579939(CHEMBL5088404)
Show SMILES COc1nc(cc(-c2ccc(N)cc2)c1C#N)-c1ncccc1C
Show InChI InChI=1S/C19H16N4O/c1-12-4-3-9-22-18(12)17-10-15(13-5-7-14(21)8-6-13)16(11-20)19(23-17)24-2/h3-10H,21H2,1-2H3
Affinity DataIC50: 29nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579942(CHEMBL5078802)
Show SMILES CCOC(=O)COc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C22H18N2O3/c1-2-26-21(25)15-27-22-19(14-23)18(16-9-5-3-6-10-16)13-20(24-22)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3
Affinity DataIC50: 30nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579938(CHEMBL5081359)
Show SMILES Cc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCc2cccnc2)n1
Show InChI InChI=1S/C24H17FN4O/c1-16-4-2-11-28-23(16)22-12-20(18-6-8-19(25)9-7-18)21(13-26)24(29-22)30-15-17-5-3-10-27-14-17/h2-12,14H,15H2,1H3
Affinity DataIC50: 36nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579937(CHEMBL5092002)
Show SMILES Cc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCCN2CCN(CC2)C(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C29H32FN5O3/c1-20-6-5-11-32-26(20)25-18-23(21-7-9-22(30)10-8-21)24(19-31)27(33-25)37-17-16-34-12-14-35(15-13-34)28(36)38-29(2,3)4/h5-11,18H,12-17H2,1-4H3
Affinity DataIC50: 43nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579944(CHEMBL5085735)
Show SMILES COc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C19H14N2O/c1-22-19-17(13-20)16(14-8-4-2-5-9-14)12-18(21-19)15-10-6-3-7-11-15/h2-12H,1H3
Affinity DataIC50: 53nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579924(CHEMBL5078095)
Show SMILES COc1ccccc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OC)n1
Show InChI InChI=1S/C20H15FN2O2/c1-24-19-6-4-3-5-15(19)18-11-16(13-7-9-14(21)10-8-13)17(12-22)20(23-18)25-2/h3-11H,1-2H3
Affinity DataIC50: 75nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579930(CHEMBL5080718)
Show SMILES N#Cc1c(OCc2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H18N2O/c26-17-23-22(20-12-6-2-7-13-20)16-24(21-14-8-3-9-15-21)27-25(23)28-18-19-10-4-1-5-11-19/h1-16H,18H2
Affinity DataIC50: 100nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579923(CHEMBL5078475)
Show SMILES COc1cccc(c1)-c1cc(-c2ccc(F)cc2)c(C#N)c(OC)n1
Show InChI InChI=1S/C20H15FN2O2/c1-24-16-5-3-4-14(10-16)19-11-17(13-6-8-15(21)9-7-13)18(12-22)20(23-19)25-2/h3-11H,1-2H3
Affinity DataIC50: 108nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579947(CHEMBL5089512)
Show SMILES CCOc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C19H15N3O/c1-2-23-19-16(13-20)17(14-9-5-3-6-10-14)21-18(22-19)15-11-7-4-8-12-15/h3-12H,2H2,1H3
Affinity DataIC50: 121nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579929(CHEMBL5084456)
Show SMILES COCCOc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C21H17FN2O2/c1-25-11-12-26-21-19(14-23)18(15-7-9-17(22)10-8-15)13-20(24-21)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
Affinity DataIC50: 123nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579943(CHEMBL5077205)
Show SMILES CCSc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C20H16N2S/c1-2-23-20-18(14-21)17(15-9-5-3-6-10-15)13-19(22-20)16-11-7-4-8-12-16/h3-13H,2H2,1H3
Affinity DataIC50: 132nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579925(CHEMBL5084987)
Show SMILES COc1nc(cc(-c2ccc(F)cc2)c1C#N)C(C)(C)C
Show InChI InChI=1S/C17H17FN2O/c1-17(2,3)15-9-13(11-5-7-12(18)8-6-11)14(10-19)16(20-15)21-4/h5-9H,1-4H3
Affinity DataIC50: 153nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579932(CHEMBL5077063)
Show SMILES COc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1cccnc1
Show InChI InChI=1S/C18H12FN3O/c1-23-18-16(10-20)15(12-4-6-14(19)7-5-12)9-17(22-18)13-3-2-8-21-11-13/h2-9,11H,1H3
Affinity DataIC50: 213nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579926(CHEMBL5088677)
Show SMILES COc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C19H13ClN2O/c1-23-19-17(12-21)16(13-7-9-15(20)10-8-13)11-18(22-19)14-5-3-2-4-6-14/h2-11H,1H3
Affinity DataIC50: 252nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579945(CHEMBL5074864)
Show SMILES COc1nc(cc(-c2ccccc2)c1C)-c1ccccc1
Show InChI InChI=1S/C19H17NO/c1-14-17(15-9-5-3-6-10-15)13-18(20-19(14)21-2)16-11-7-4-8-12-16/h3-13H,1-2H3
Affinity DataIC50: 437nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579931(CHEMBL5079117)
Show SMILES COc1nc(cc(-c2ccncc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H13N3O/c1-22-18-16(12-19)15(13-7-9-20-10-8-13)11-17(21-18)14-5-3-2-4-6-14/h2-11H,1H3
Affinity DataIC50: 541nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579928(CHEMBL5084810)
Show SMILES COc1nc(cc(c1C#N)C(C)(C)C)-c1ccccn1
Show InChI InChI=1S/C16H17N3O/c1-16(2,3)12-9-14(13-7-5-6-8-18-13)19-15(20-4)11(12)10-17/h5-9H,1-4H3
Affinity DataIC50: 850nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579922(CHEMBL5075924)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(F)cc2)c(C#N)c(OC)n1
Show InChI InChI=1S/C20H15FN2O2/c1-24-16-9-5-14(6-10-16)19-11-17(13-3-7-15(21)8-4-13)18(12-22)20(23-19)25-2/h3-11H,1-2H3
Affinity DataIC50: 1.36E+3nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579946(CHEMBL5082758)
Show SMILES COc1nc(cc(-c2ccc(F)cc2)c1C(N)=O)-c1ccccn1
Show InChI InChI=1S/C18H14FN3O2/c1-24-18-16(17(20)23)13(11-5-7-12(19)8-6-11)10-15(22-18)14-4-2-3-9-21-14/h2-10H,1H3,(H2,20,23)
Affinity DataIC50: 1.62E+4nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579933(CHEMBL5083559)
Show SMILES COc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccncc1
Show InChI InChI=1S/C18H12FN3O/c1-23-18-16(11-20)15(12-2-4-14(19)5-3-12)10-17(22-18)13-6-8-21-9-7-13/h2-10H,1H3
Affinity DataIC50: 1.74E+4nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSulfide:quinone oxidoreductase, mitochondrial(Homo sapiens)
Fox Chase Chemical Diversity Center, Inc.

Curated by ChEMBL
LigandPNGBDBM50579927(CHEMBL4161234)
Show SMILES COc1nc(cc(-c2ccc(Cl)cc2Cl)c1C#N)-c1ccccc1
Show InChI InChI=1S/C19H12Cl2N2O/c1-24-19-16(11-22)15(14-8-7-13(20)9-17(14)21)10-18(23-19)12-5-3-2-4-6-12/h2-10H,1H3
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human SQORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid