Compile Data Set for Download or QSAR
Found 5343 with Last Name = 'brown' and Initial = 'mf'
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  0.0269nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase TXK(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  0.131nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  0.545nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  0.679nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  6.31nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  27nMAssay Description:Inhibition of full length recombinant human GST-tagged cytoplasmic ITK expressed in baculovirus expression system by KT236 probe based TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  32.4nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  62.3nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase TXK(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  131nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged TXK using GEPLYWSFPAKKK as substrate measured every 60 secs for 1 hr by PK/LDH coupled spectrop...More data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi:  250nMAssay Description:Inhibition of human norepinephrine transporterMore data for this Ligand-Target Pair
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  545nMAssay Description:Inhibition of full length recombinant human His-tagged cytoplasmic BMX expressed in baculovirus expression system by KT236 probe based TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  679nMAssay Description:Inhibition of full length human His-tagged TEC by KT178 probe based TR-FRET assayMore data for this Ligand-Target Pair
TargetMacrophage metalloelastase(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi:  1.35E+3nMAssay Description:Inhibition of human MMP12More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  6.31E+3nMAssay Description:Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system by KT2...More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi:  7.73E+3nMAssay Description:Inhibition of human MMP13More data for this Ligand-Target Pair
TargetMatrilysin(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP7More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP3More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP2More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP1More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human TACEMore data for this Ligand-Target Pair
TargetMatrix metalloproteinase-26(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP26More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-25(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP25More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-24(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP24More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-20(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP20More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-15(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP15More data for this Ligand-Target Pair
TargetStromelysin-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP10More data for this Ligand-Target Pair
TargetNeutrophil collagenase(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP8More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP9More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP14More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-16(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50365344(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human MMP16More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  3.24E+4nMAssay Description:Inhibition of full length recombinant human His-tagged cytoplasmic BLK expressed in baculovirus expression system by KT236 probe based TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  6.23E+4nMAssay Description:Inhibition of full length recombinant human His-tagged cytoplasmic BTK expressed in baculovirus expression system by KT236 probe based TR-FRET assayMore data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Pfizer Inc

US Patent
LigandPNGBDBM135525(US8853258, 176)
Show SMILES CC(CCc1ccc(cc1)-c1ccc2OCOc2c1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C19H21NO6S/c1-19(18(21)20-22,27(2,23)24)10-9-13-3-5-14(6-4-13)15-7-8-16-17(11-15)26-12-25-16/h3-8,11,22H,9-10,12H2,1-2H3,(H,20,21)
Affinity DataIC50: 0.0303nMpH: 8.0Assay Description:IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...More data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Pfizer Inc

US Patent
LigandPNGBDBM135565(US8853258, 218)
Show SMILES C[C@@](CCc1ccc(cc1)-c1cc2ccccc2[nH]1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C20H22N2O4S/c1-20(19(23)22-24,27(2,25)26)12-11-14-7-9-15(10-8-14)18-13-16-5-3-4-6-17(16)21-18/h3-10,13,21,24H,11-12H2,1-2H3,(H,22,23)/t20-/m1/s1
Affinity DataIC50: 0.0340nMpH: 8.0Assay Description:IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...More data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Pfizer Inc

US Patent
LigandPNGBDBM135527(US8853258, 178)
Show SMILES CC(CCc1ccc(cc1F)-c1ccc(O)cc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H20FNO5S/c1-18(17(22)20-23,26(2,24)25)10-9-13-3-4-14(11-16(13)19)12-5-7-15(21)8-6-12/h3-8,11,21,23H,9-10H2,1-2H3,(H,20,22)
Affinity DataIC50: 0.0592nMpH: 8.0Assay Description:IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...More data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Pfizer Inc

US Patent
LigandPNGBDBM135477(US8853258, 44)
Show SMILES CC(CCc1ccc(cc1)-c1ccc(Cl)cc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H20ClNO4S/c1-18(17(21)20-22,25(2,23)24)12-11-13-3-5-14(6-4-13)15-7-9-16(19)10-8-15/h3-10,22H,11-12H2,1-2H3,(H,20,21)
Affinity DataIC50: 0.0669nMpH: 8.0Assay Description:IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...More data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Pfizer Inc

US Patent
LigandPNGBDBM135531(US8853258, 182)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H23NO5S/c1-14(22)16-8-10-18(11-9-16)17-6-4-15(5-7-17)12-13-20(2,19(23)21-24)27(3,25)26/h4-11,24H,12-13H2,1-3H3,(H,21,23)/t20-/m1/s1
Affinity DataIC50: 0.0674nMpH: 8.0Assay Description:IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...More data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Pfizer Inc

US Patent
LigandPNGBDBM135562(US8853258, 215)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccc2OCOc2c1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C19H21NO6S/c1-19(18(21)20-22,27(2,23)24)10-9-13-3-5-14(6-4-13)15-7-8-16-17(11-15)26-12-25-16/h3-8,11,22H,9-10,12H2,1-2H3,(H,20,21)/t19-/m1/s1
Affinity DataIC50: 0.0842nMpH: 8.0Assay Description:IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316711(5-{2-[(1-acryloylpiperidin-4-yl)amino]-5H-pyrrolo[...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(-c3cncc(c3)C#N)c2n1
Show InChI InChI=1S/C20H19N7O/c1-2-18(28)27-5-3-15(4-6-27)25-17-12-24-20-19(26-17)16(11-23-20)14-7-13(8-21)9-22-10-14/h2,7,9-12,15H,1,3-6H2,(H,23,24)(H,25,26)
Affinity DataIC50: 0.100nMAssay Description:Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316746(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3-fluorocyc...)
Show SMILES FC1CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C19H23FN6O2/c1-2-16(27)26-5-3-12(4-6-26)23-15-10-22-18-17(25-15)14(9-21-18)19(28)24-13-7-11(20)8-13/h2,9-13H,1,3-8H2,(H,21,22)(H,23,25)(H,24,28)
Affinity DataIC50: 0.100nMAssay Description:JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316774(2-[(1-acryloylpiperidin-4-yl)amino]-N-(cyclopentyl...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC3CCCC3)c2n1
Show InChI InChI=1S/C21H28N6O2/c1-2-18(28)27-9-7-15(8-10-27)25-17-13-23-20-19(26-17)16(12-22-20)21(29)24-11-14-5-3-4-6-14/h2,12-15H,1,3-11H2,(H,22,23)(H,24,29)(H,25,26)
Affinity DataIC50: 0.100nMAssay Description:Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316739(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...)
Show SMILES FC1(F)CCCC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
Affinity DataIC50: 0.100nMAssay Description:Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316743(2-[(1-acryloylpiperidin-4-yl)amino]-N-(4,4,4-trifl...)
Show SMILES FC(F)(F)CCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C19H23F3N6O2/c1-2-15(29)28-8-4-12(5-9-28)26-14-11-25-17-16(27-14)13(10-24-17)18(30)23-7-3-6-19(20,21)22/h2,10-12H,1,3-9H2,(H,23,30)(H,24,25)(H,26,27)
Affinity DataIC50: 0.100nMAssay Description:Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316745(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3-cyanoprop...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCCCC#N)c2n1
Show InChI InChI=1S/C19H23N7O2/c1-2-16(27)26-9-5-13(6-10-26)24-15-12-23-18-17(25-15)14(11-22-18)19(28)21-8-4-3-7-20/h2,11-13H,1,3-6,8-10H2,(H,21,28)(H,22,23)(H,24,25)
Affinity DataIC50: 0.100nMAssay Description:Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316746(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3-fluorocyc...)
Show SMILES FC1CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C19H23FN6O2/c1-2-16(27)26-5-3-12(4-6-26)23-15-10-22-18-17(25-15)14(9-21-18)19(28)24-13-7-11(20)8-13/h2,9-13H,1,3-8H2,(H,21,22)(H,23,25)(H,24,28)
Affinity DataIC50: 0.100nMAssay Description:Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316711(5-{2-[(1-acryloylpiperidin-4-yl)amino]-5H-pyrrolo[...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(-c3cncc(c3)C#N)c2n1
Show InChI InChI=1S/C20H19N7O/c1-2-18(28)27-5-3-15(4-6-27)25-17-12-24-20-19(26-17)16(11-23-20)14-7-13(8-21)9-22-10-14/h2,7,9-12,15H,1,3-6H2,(H,23,24)(H,25,26)
Affinity DataIC50: 0.100nMAssay Description:JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316515(US11111242, Example 3 | US9617258, Example 3)
Show SMILES Clc1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12
Affinity DataIC50: 0.100nMAssay Description:JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316840(US11111242, Example 343 | US9617258, Example 343)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1
Show InChI InChI=1S/C18H20N6O2/c1-3-7-19-18(26)13-10-20-17-16(13)23-14(11-21-17)22-12-5-8-24(9-6-12)15(25)4-2/h1,4,10-12H,2,5-9H2,(H,19,26)(H,20,21)(H,22,23)
Affinity DataIC50: 0.100nMAssay Description:Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316840(US11111242, Example 343 | US9617258, Example 343)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1
Show InChI InChI=1S/C18H20N6O2/c1-3-7-19-18(26)13-10-20-17-16(13)23-14(11-21-17)22-12-5-8-24(9-6-12)15(25)4-2/h1,4,10-12H,2,5-9H2,(H,19,26)(H,20,21)(H,22,23)
Affinity DataIC50: 0.100nMAssay Description:JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316774(2-[(1-acryloylpiperidin-4-yl)amino]-N-(cyclopentyl...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC3CCCC3)c2n1
Show InChI InChI=1S/C21H28N6O2/c1-2-18(28)27-9-7-15(8-10-27)25-17-13-23-20-19(26-17)16(12-22-20)21(29)24-11-14-5-3-4-6-14/h2,12-15H,1,3-11H2,(H,22,23)(H,24,29)(H,25,26)
Affinity DataIC50: 0.100nMAssay Description:JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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