Compile Data Set for Download or QSAR
Found 20 of affinity data for UniProtKB/TrEMBL: P43251
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480933(US10906888, Example 147)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C18H22N6O2/c1-13(15-10-19-4-5-20-15)23-17-21-8-14(9-22-17)16(25)24-11-18(12-24)2-6-26-7-3-18/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,21,22,23)/t13-/m0/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480971(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrimidin-5-y...)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C20H24N6O2/c27-17(26-6-3-19(13-26)4-7-28-8-5-19)15-9-23-18(24-10-15)25-20(1-2-20)16-11-21-14-22-12-16/h9-12,14H,1-8,13H2,(H,23,24,25)
Affinity DataIC50: 1.02E+3nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480917(7-oxa-2-azaspiro[3.5]non-2-yl(2-{[2-(pyrazin-2-yl)...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C19H24N6O2/c1-18(2,15-11-20-5-6-21-15)24-17-22-9-14(10-23-17)16(26)25-12-19(13-25)3-7-27-8-4-19/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,22,23,24)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480919(US10906888, Example 133)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(COC2)c2cncnc2)nc1
Show InChI InChI=1S/C20H24N6O3/c27-17(26-4-1-19(11-26)2-5-28-6-3-19)15-7-23-18(24-8-15)25-20(12-29-13-20)16-9-21-14-22-10-16/h7-10,14H,1-6,11-13H2,(H,23,24,25)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480929(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrimidin-5-y...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1
Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480931(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[(1S)-1-(pyrazin-...)
Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480965(8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrazin-2-yl)...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-13-21-6-7-22-16)25-18-23-11-15(12-24-18)17(27)26-8-3-20(14-26)4-9-28-10-5-20/h6-7,11-13H,3-5,8-10,14H2,1-2H3,(H,23,24,25)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480921(US10906888, Example 135)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
Show InChI InChI=1S/C17H20N6O2/c24-15(23-11-17(12-23)1-5-25-6-2-17)13-7-20-16(21-8-13)22-10-14-9-18-3-4-19-14/h3-4,7-9H,1-2,5-6,10-12H2,(H,20,21,22)
Affinity DataIC50: 7.40E+3nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50585537(CHEMBL5084938)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cnccn2)nc1
Show InChI InChI=1S/C21H26N6O2/c28-18(27-9-4-20(15-27)5-10-29-11-6-20)16-12-24-19(25-13-16)26-21(2-1-3-21)17-14-22-7-8-23-17/h7-8,12-14H,1-6,9-11,15H2,(H,24,25,26)
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480968(US10906888, Example 185)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cncnc2)nc1
Show InChI InChI=1S/C18H22N6O2/c25-16(24-4-1-18(12-24)2-5-26-6-3-18)15-10-22-17(23-11-15)21-9-14-7-19-13-20-8-14/h7-8,10-11,13H,1-6,9,12H2,(H,21,22,23)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480783(US10906888, Example 1)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C19H23N5O2/c25-17(24-7-3-19(14-24)4-8-26-9-5-19)16-12-22-18(23-13-16)21-11-15-2-1-6-20-10-15/h1-2,6,10,12-13H,3-5,7-9,11,14H2,(H,21,22,23)
Affinity DataIC50: 1.13E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50585533(CHEMBL5094835)
Show SMILES O=C(N1CCC[C@H](C1)C#N)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C18H19N7O/c19-6-13-2-1-5-25(11-13)16(26)14-7-22-17(23-8-14)24-18(3-4-18)15-9-20-12-21-10-15/h7-10,12-13H,1-5,11H2,(H,22,23,24)/t13-/m0/s1
Affinity DataIC50: 1.27E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480981(US10906888, Example 198 | US10906888, Example 199 ...)
Show SMILES CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480973(US10906888, Example 190)
Show SMILES O=C(N1CCCCC1)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C17H20N6O/c24-15(23-6-2-1-3-7-23)13-8-20-16(21-9-13)22-17(4-5-17)14-10-18-12-19-11-14/h8-12H,1-7H2,(H,20,21,22)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM394644(3-[(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimi...)
Show SMILES O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C19H14N6O/c20-7-13-2-1-3-14(6-13)17(26)15-8-23-18(24-9-15)25-19(4-5-19)16-10-21-12-22-11-16/h1-3,6,8-12H,4-5H2,(H,23,24,25)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480990(US10906888, Example 150)
Show SMILES C[C@@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1
Show InChI InChI=1S/C19H24N6O2/c1-14(15-8-20-13-21-9-15)24-18-22-10-16(11-23-18)17(26)25-5-2-19(12-25)3-6-27-7-4-19/h8-11,13-14H,2-7,12H2,1H3,(H,22,23,24)/t14-/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480928(8-oxa-2-azaspiro[4.5]dec l{2-[(pyrazin-2-ylmethyl)...)
Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
Show InChI InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480932(US10906888, Example 146)
Show SMILES C[C@@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1
Show InChI InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM480978(US10906888, Example 195 | US10906888, Example 196 ...)
Show SMILES O=C(N1CCCC(C1)C#N)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C18H19N7O/c19-6-13-2-1-5-25(11-13)16(26)14-7-22-17(23-8-14)24-18(3-4-18)15-9-20-12-21-10-15/h7-10,12-13H,1-5,11H2,(H,22,23,24)
Affinity DataIC50: 5.30E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBiotinidase(Homo sapiens)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50585535(CHEMBL5086259)
Show SMILES CS(=O)(=O)[C@@H]1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)/t15-/m1/s1
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid