Compile Data Set for Download or QSAR
Found 1114 with Last Name = 'banker' and Initial = 'me'
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
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50398061(CHEMBL2181928)
Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1
Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1
Affinity DataKi:  6.30nMAssay Description:Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain after 4 hrs by liquid scintillation countingMore 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
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50443329(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
Affinity DataKi:  113nMAssay Description:Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation countingMore 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
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
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
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
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 DataIC50: 0.300nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50501537(CHEMBL4085582)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H12N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h2-9H,1H2,(H,19,20)(H,16,17,18)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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 DataIC50: 0.300nMAssay Description:Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using ...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 DataIC50: 0.346nMpH: 7.4 T: 2°CAssay Description:Test compounds were solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. Compounds were diluted in DMSO to create an 11-point ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50501536(CHEMBL4064018)
Show SMILES C=CC(=O)N1CC[C@H]2CCN([C@H]2C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H19N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h2-3,6,10-11,13H,1,4-5,7-9H2,(H,17,18,19)/t11-,13-/m0/s1
Affinity DataIC50: 0.400nMAssay Description:Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466679(CHEMBL4288086)
Show SMILES COCCc1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C18H18N4O2/c1-3-15(23)22-14-6-4-5-12(9-14)17-16-13(7-8-24-2)10-19-18(16)21-11-20-17/h3-6,9-11H,1,7-8H2,2H3,(H,22,23)(H,19,20,21)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466668(CHEMBL4280180)
Show SMILES COCCc1c[nH]c2ncnc(-c3ccc4OCCN(C(=O)C=C)c4c3)c12
Show InChI InChI=1S/C20H20N4O3/c1-3-17(25)24-7-9-27-16-5-4-13(10-15(16)24)19-18-14(6-8-26-2)11-21-20(18)23-12-22-19/h3-5,10-12H,1,6-9H2,2H3,(H,21,22,23)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466664(CHEMBL4292341)
Show SMILES OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12
Show InChI InChI=1S/C23H19N5O/c24-12-26-20-7-6-15-4-5-17(9-18(15)20)22-21-19(10-25-23(21)28-13-27-22)16-3-1-2-14(8-16)11-29/h1-5,8-10,13,20,26,29H,6-7,11H2,(H,25,27,28)/t20-/m0/s1
Affinity DataIC50: 0.5nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466663(CHEMBL4287845)
Show SMILES N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C22H17N5/c23-12-25-19-9-8-15-6-7-16(10-17(15)19)21-20-18(14-4-2-1-3-5-14)11-24-22(20)27-13-26-21/h1-7,10-11,13,19,25H,8-9H2,(H,24,26,27)/t19-/m0/s1
Affinity DataIC50: 0.700nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM316524(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12
Affinity DataIC50: 0.700nMAssay Description:Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466676(CHEMBL4279720)
Show SMILES C[C@@]1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N
Show InChI InChI=1S/C17H15N5/c1-17(22-9-18)6-4-11-2-3-12(8-14(11)17)15-13-5-7-19-16(13)21-10-20-15/h2-3,5,7-8,10,22H,4,6H2,1H3,(H,19,20,21)/t17-/m0/s1
Affinity DataIC50: 0.700nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466665(CHEMBL4292320)
Show SMILES CS(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H16N6O2S/c1-26(24,25)23-15-7-14(20-8-18)13-6-10(2-3-11(13)15)16-12-4-5-19-17(12)22-9-21-16/h2-6,9,14-15,20,23H,7H2,1H3,(H,19,21,22)/t14-,15+/m0/s1
Affinity DataIC50: 0.900nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 0.960nMpH: 7.4 T: 2°CAssay Description:Test compounds were solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. Compounds were diluted in DMSO to create an 11-point ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM159756(PF-02384554 | US10966980, Example 8 | US9035074, 8)
Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cc(ccn1)C#N)c1ncnc2[nH]ccc12
Affinity DataIC50: 1nMpH: 7.4 T: 2°CAssay Description:Test compounds were solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. Compounds were diluted in DMSO to create an 11-point ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466658(CHEMBL4294868)
Show SMILES O[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H13N5O/c17-7-19-13-6-14(22)10-2-1-9(5-12(10)13)15-11-3-4-18-16(11)21-8-20-15/h1-5,8,13-14,19,22H,6H2,(H,18,20,21)/t13-,14+/m0/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466678(CHEMBL4288935)
Show SMILES COCCS(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H20N6O3S/c1-28-6-7-29(26,27)25-17-9-16(22-10-20)15-8-12(2-3-13(15)17)18-14-4-5-21-19(14)24-11-23-18/h2-5,8,11,16-17,22,25H,6-7,9H2,1H3,(H,21,23,24)/t16-,17+/m0/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466683(CHEMBL4293778)
Show SMILES CC1(CCc2ccc(cc12)-c1ncnc2[nH]ccc12)NC#N
Show InChI InChI=1S/C17H15N5/c1-17(22-9-18)6-4-11-2-3-12(8-14(11)17)15-13-5-7-19-16(13)21-10-20-15/h2-3,5,7-8,10,22H,4,6H2,1H3,(H,19,20,21)
Affinity DataIC50: 1nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50013412(CHEMBL3263752)
Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1
Show InChI InChI=1S/C23H24N4O3/c1-14-11-17(8-7-16(14)13-24)27-21(15-5-3-4-6-15)12-20(26-27)19-10-9-18(23(28)29)22(25-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H,28,29)/t21-/m1/s1
Affinity DataIC50: 1.80nMAssay Description:Binding affinity to mineralocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466684(CHEMBL4281693)
Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50013430(CHEMBL3263768)
Show SMILES COc1nc(ccc1C(=O)Nc1nnn[nH]1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1
Show InChI InChI=1S/C24H25N9O2/c1-14-11-17(8-7-16(14)13-25)33-21(15-5-3-4-6-15)12-20(30-33)19-10-9-18(23(26-19)35-2)22(34)27-24-28-31-32-29-24/h7-11,15,21H,3-6,12H2,1-2H3,(H2,27,28,29,31,32,34)/t21-/m1/s1
Affinity DataIC50: 2.20nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 2.60nMpH: 7.4 T: 2°CAssay Description:Test compounds were solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. Compounds were diluted in DMSO to create an 11-point ...More data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50013422(CHEMBL3263760)
Show SMILES COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1
Show InChI InChI=1S/C23H25N5O2/c1-14-11-17(8-7-16(14)13-24)28-21(15-5-3-4-6-15)12-20(27-28)19-10-9-18(22(25)29)23(26-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H2,25,29)/t21-/m1/s1
Affinity DataIC50: 2.70nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM159756(PF-02384554 | US10966980, Example 8 | US9035074, 8)
Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cc(ccn1)C#N)c1ncnc2[nH]ccc12
Affinity DataIC50: 2.70nMpH: 7.4 T: 2°CAssay Description:Test compounds were solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. Compounds were diluted in DMSO to create an 11-point ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50013428(CHEMBL3263766)
Show SMILES COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1
Show InChI InChI=1S/C24H27N5O4S/c1-15-12-18(9-8-17(15)14-25)29-22(16-6-4-5-7-16)13-21(27-29)20-11-10-19(24(26-20)33-2)23(30)28-34(3,31)32/h8-12,16,22H,4-7,13H2,1-3H3,(H,28,30)/t22-/m1/s1
Affinity DataIC50: 2.80nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466662(CHEMBL4284396)
Show SMILES COCCc1c[nH]c2ncnc(-c3ccc4OC(F)(F)CN(C#N)c4c3)c12
Show InChI InChI=1S/C18H15F2N5O2/c1-26-5-4-12-7-22-17-15(12)16(23-10-24-17)11-2-3-14-13(6-11)25(9-21)8-18(19,20)27-14/h2-3,6-7,10H,4-5,8H2,1H3,(H,22,23,24)
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50466660(CHEMBL4281393)
Show SMILES N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H13N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-7,9,14,19H,3-4H2,(H,18,20,21)/t14-/m0/s1
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50243852(CHEMBL4103698)
Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18FN5O2S/c1-23(17-15-6-7-19-16(15)20-10-21-17)13-8-12(9-13)22-26(24,25)14-4-2-11(18)3-5-14/h2-7,10,12-13,22H,8-9H2,1H3,(H,19,20,21)/t12-,13+
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 3.10nMpH: 7.4 T: 2°CAssay Description:Test compounds were solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. Compounds were diluted in DMSO to create an 11-point ...More data for this Ligand-Target Pair
TargetMineralocorticoid receptor(RAT)
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50398061(CHEMBL2181928)
Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1
Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1
Affinity DataIC50: 3.20nMAssay Description:Antagonist activity at rat GAL4-DBD fused MR ligand binding domain transfected in human Huh7 cells co-expressing GAL4-RE-Luc assessed as reduction in...More data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50013426(CHEMBL3263764)
Show SMILES CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1
Show InChI InChI=1S/C23H26N6O2/c1-14-16(13-24)8-11-21(26-14)29-20(15-6-4-5-7-15)12-19(28-29)18-10-9-17(22(30)25-2)23(27-18)31-3/h8-11,15,20H,4-7,12H2,1-3H3,(H,25,30)/t20-/m1/s1
Affinity DataIC50: 3.30nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50013424(CHEMBL3263762)
Show SMILES COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1
Show InChI InChI=1S/C25H29N5O2/c1-16-13-19(10-9-18(16)15-26)30-23(17-7-5-6-8-17)14-22(28-30)21-12-11-20(24(27-21)32-4)25(31)29(2)3/h9-13,17,23H,5-8,14H2,1-4H3/t23-/m1/s1
Affinity DataIC50: 3.70nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM50021656(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50013429(CHEMBL3263767)
Show SMILES COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1
Show InChI InChI=1S/C23H26N6O4S/c1-14-16(13-24)8-11-21(25-14)29-20(15-6-4-5-7-15)12-19(27-29)18-10-9-17(23(26-18)33-2)22(30)28-34(3,31)32/h8-11,15,20H,4-7,12H2,1-3H3,(H,28,30)/t20-/m1/s1
Affinity DataIC50: 4.10nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50013425(CHEMBL3263763)
Show SMILES COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1
Show InChI InChI=1S/C22H24N6O2/c1-13-15(12-23)7-10-20(25-13)28-19(14-5-3-4-6-14)11-18(27-28)17-9-8-16(21(24)29)22(26-17)30-2/h7-10,14,19H,3-6,11H2,1-2H3,(H2,24,29)/t19-/m1/s1
Affinity DataIC50: 4.30nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
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